Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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2,6-Di(tert-butyl)pyridine, 97%, Thermo Scientific™, Thermo Scientific™

CAS: 585-48-8 Molecular Formula: C13H21N Molecular Weight (g/mol): 191.318 MDL Number: MFCD00006306 InChI Key: UWKQJZCTQGMHKD-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 PubChem CID: 68510 IUPAC Name: 2,6-ditert-butylpyridine SMILES: CC(C)(C)C1=NC(=CC=C1)C(C)(C)C

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PubChem CID	68510
CAS	585-48-8
Molecular Weight (g/mol)	191.318
MDL Number	MFCD00006306
SMILES	CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
Synonym	2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119
IUPAC Name	2,6-ditert-butylpyridine
InChI Key	UWKQJZCTQGMHKD-UHFFFAOYSA-N
Molecular Formula	C13H21N

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Quinoxaline, 98+%, Thermo Scientific Chemicals

CAS: 91-19-0 Molecular Formula: C₈H₆N₂ Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006719 InChI Key: XSCHRSMBECNVNS-UHFFFAOYSA-N Synonym: benzoparadiazine,1,4-benzodiazine,phenopiazine,phenpiazine,quinazine,benzopyrazine,1,4-diazanaphthalene,benzo a pyrazine,1,4-naphthyridine,chinoxalin PubChem CID: 7045 ChEBI: CHEBI:36616 IUPAC Name: quinoxaline SMILES: C1=CC=C2C(=C1)N=CC=N2

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PubChem CID	7045
CAS	91-19-0
Molecular Weight (g/mol)	130.15
ChEBI	CHEBI:36616
MDL Number	MFCD00006719
SMILES	C1=CC=C2C(=C1)N=CC=N2
Synonym	benzoparadiazine,1,4-benzodiazine,phenopiazine,phenpiazine,quinazine,benzopyrazine,1,4-diazanaphthalene,benzo a pyrazine,1,4-naphthyridine,chinoxalin
IUPAC Name	quinoxaline
InChI Key	XSCHRSMBECNVNS-UHFFFAOYSA-N
Molecular Formula	C₈H₆N₂

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Isothiazole, 97%, Thermo Scientific Chemicals

CAS: 288-16-4 Molecular Formula: C₃H₃NS Molecular Weight (g/mol): 85.13 InChI Key: ZLTPDFXIESTBQG-UHFFFAOYSA-N Synonym: isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone PubChem CID: 67515 ChEBI: CHEBI:35600 IUPAC Name: 1,2-thiazole SMILES: C1=CSN=C1

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PubChem CID	67515
CAS	288-16-4
Molecular Weight (g/mol)	85.13
ChEBI	CHEBI:35600
SMILES	C1=CSN=C1
Synonym	isothiazole,2-azathiophene,1,2-thiazol,isothiazole;1,2-thiazole,4-fluoro-3'-methylbenzophenone
IUPAC Name	1,2-thiazole
InChI Key	ZLTPDFXIESTBQG-UHFFFAOYSA-N
Molecular Formula	C₃H₃NS

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Difurfurylsulfide, 96%, Thermo Scientific™

CAS: 13678-67-6 Molecular Formula: C₁₀H₁₀SO₂ Molecular Weight (g/mol): 194.25 InChI Key: UYLKDZXJEKFFHJ-UHFFFAOYSA-N Synonym: difurfuryl sulfide,furfuryl sulfide,difurfurylsulfide,2-furfuryl monosulfide,furan, 2,2'-thiobis methylene bis,bis 2-furfuryl sulfide,unii-x6o686cpco,bis furan-2-ylmethyl sulfane,bis-furfuryl sulfide,2-difurfuryl sulfide PubChem CID: 61659 IUPAC Name: 2-(furan-2-ylmethylsulfanylmethyl)furan SMILES: C1=COC(=C1)CSCC2=CC=CO2

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PubChem CID	61659
CAS	13678-67-6
Molecular Weight (g/mol)	194.25
SMILES	C1=COC(=C1)CSCC2=CC=CO2
Synonym	difurfuryl sulfide,furfuryl sulfide,difurfurylsulfide,2-furfuryl monosulfide,furan, 2,2'-thiobis methylene bis,bis 2-furfuryl sulfide,unii-x6o686cpco,bis furan-2-ylmethyl sulfane,bis-furfuryl sulfide,2-difurfuryl sulfide
IUPAC Name	2-(furan-2-ylmethylsulfanylmethyl)furan
InChI Key	UYLKDZXJEKFFHJ-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₀SO₂

Purine, 97+%, Thermo Scientific Chemicals

CAS: 120-73-0 Molecular Formula: C5H4N4 Molecular Weight (g/mol): 120.115 MDL Number: MFCD00079221 InChI Key: KDCGOANMDULRCW-UHFFFAOYSA-N Synonym: purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine PubChem CID: 1044 ChEBI: CHEBI:17258 IUPAC Name: 7H-purine SMILES: C1=C2C(=NC=N1)N=CN2

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PubChem CID	1044
CAS	120-73-0
Molecular Weight (g/mol)	120.115
ChEBI	CHEBI:17258
MDL Number	MFCD00079221
SMILES	C1=C2C(=NC=N1)N=CN2
Synonym	purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine
IUPAC Name	7H-purine
InChI Key	KDCGOANMDULRCW-UHFFFAOYSA-N
Molecular Formula	C5H4N4

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Nitron, 95%, Thermo Scientific Chemicals

CAS: 2218-94-2 Molecular Formula: C20H16N4 Molecular Weight (g/mol): 312.376 MDL Number: MFCD00005174 InChI Key: CWGBFIRHYJNILV-UHFFFAOYSA-N Synonym: nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt PubChem CID: 720071 IUPAC Name: (1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide SMILES: C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4

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PubChem CID	720071
CAS	2218-94-2
Molecular Weight (g/mol)	312.376
MDL Number	MFCD00005174
SMILES	C1=CC=C(C=C1)[N-]C2=NN(C=[N+]2C3=CC=CC=C3)C4=CC=CC=C4
Synonym	nitron,unii-90im4z883z,1,4-diphenyl-endoanilino-dihydrotriazole,1,4-diphenyl-3-phenylamino-1h-1,2,4-triazolium inner salt,1h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, hydroxide, inner salt,1,4-diphenyl-3-phenylazamethylene-1,2,4-triazoline,1,4-diphenyl-3-phenylamino-1,2,4-triazolium hydroxide inner salt,4h-1,2,4-triazolium, 1,4-diphenyl-3-phenylamino-, inner salt,4,5-dihydro-2,4-diphenyl-5-phenylimino-1h-1,2,4-triazolium inner salt
IUPAC Name	(1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide
InChI Key	CWGBFIRHYJNILV-UHFFFAOYSA-N
Molecular Formula	C20H16N4

6-Quinoxalinamine, 97%, Thermo Scientific™

CAS: 6298-37-9 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD00462821 InChI Key: MSGRFBKVMUKEGZ-UHFFFAOYSA-N Synonym: 6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino PubChem CID: 237859 IUPAC Name: quinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1

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PubChem CID	237859
CAS	6298-37-9
Molecular Weight (g/mol)	145.17
MDL Number	MFCD00462821
SMILES	NC1=CC=C2N=CC=NC2=C1
Synonym	6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino
IUPAC Name	quinoxalin-6-amine
InChI Key	MSGRFBKVMUKEGZ-UHFFFAOYSA-N
Molecular Formula	C8H7N3

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3-Octylthiophene, 97%, Thermo Scientific Chemicals

CAS: 65016-62-8 MDL Number: MFCD00085281 InChI Key: WQYWXQCOYRZFAV-UHFFFAOYSA-N Synonym: 3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691 PubChem CID: 566852 IUPAC Name: 3-octylthiophene SMILES: CCCCCCCCC1=CSC=C1

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PubChem CID	566852
CAS	65016-62-8
MDL Number	MFCD00085281
SMILES	CCCCCCCCC1=CSC=C1
Synonym	3-n-octylthiophene,thiophene, 3-octyl,acmc-1bfcd,3-octylthiophene,ksc491i4b,bidd:gt0691
IUPAC Name	3-octylthiophene
InChI Key	WQYWXQCOYRZFAV-UHFFFAOYSA-N

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2-Isobutylpyridine, 99%, Thermo Scientific Chemicals

CAS: 6304-24-1 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD02262142 InChI Key: BBVSPSDWPYWMOR-UHFFFAOYSA-N Synonym: 2-isobutylpyridine,2-2-methylpropyl pyridine,2-isobutyl pyridine,pyridine, 2-2-methylpropyl,unii-gs3k23h1q8,pyridine, 2-isobutyl,fema no. 3370,2-isobutyl-pyridin,2-isobutyl-pyridine,acmc-1b4hh PubChem CID: 61385 IUPAC Name: 2-(2-methylpropyl)pyridine SMILES: CC(C)CC1=CC=CC=N1

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PubChem CID	61385
CAS	6304-24-1
Molecular Weight (g/mol)	135.21
MDL Number	MFCD02262142
SMILES	CC(C)CC1=CC=CC=N1
Synonym	2-isobutylpyridine,2-2-methylpropyl pyridine,2-isobutyl pyridine,pyridine, 2-2-methylpropyl,unii-gs3k23h1q8,pyridine, 2-isobutyl,fema no. 3370,2-isobutyl-pyridin,2-isobutyl-pyridine,acmc-1b4hh
IUPAC Name	2-(2-methylpropyl)pyridine
InChI Key	BBVSPSDWPYWMOR-UHFFFAOYSA-N
Molecular Formula	C9H13N

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2-Hydroxyquinoxaline, 98%, Thermo Scientific™

CAS: 1196-57-2 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006722 InChI Key: FFRYUAVNPBUEIC-UHFFFAOYSA-N Synonym: 2-hydroxyquinoxaline,quinoxalin-2-ol,2-quinoxalinol,2 1h-quinoxalinone,quinoxalin-2 1h-one,quinoxalin-2-one,2-quinoxalinone,3-quinoxalinone,2-quinoxalone,1,2-dihydroquinoxalin-2-one PubChem CID: 14526 ChEBI: CHEBI:38890 IUPAC Name: 1H-quinoxalin-2-one SMILES: O=C1NC2=CC=CC=C2N=C1

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PubChem CID	14526
CAS	1196-57-2
Molecular Weight (g/mol)	146.15
ChEBI	CHEBI:38890
MDL Number	MFCD00006722
SMILES	O=C1NC2=CC=CC=C2N=C1
Synonym	2-hydroxyquinoxaline,quinoxalin-2-ol,2-quinoxalinol,2 1h-quinoxalinone,quinoxalin-2 1h-one,quinoxalin-2-one,2-quinoxalinone,3-quinoxalinone,2-quinoxalone,1,2-dihydroquinoxalin-2-one
IUPAC Name	1H-quinoxalin-2-one
InChI Key	FFRYUAVNPBUEIC-UHFFFAOYSA-N
Molecular Formula	C8H6N2O

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5-Azabenzimidazole, 98%, Thermo Scientific Chemicals

CAS: 272-97-9 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.13 MDL Number: MFCD00051808 InChI Key: UBOOKRVGOBKDMM-UHFFFAOYSA-N Synonym: 3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole PubChem CID: 9227 IUPAC Name: 3H-imidazo[4,5-c]pyridine SMILES: N1C=NC2=CC=NC=C12

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PubChem CID	9227
CAS	272-97-9
Molecular Weight (g/mol)	119.13
MDL Number	MFCD00051808
SMILES	N1C=NC2=CC=NC=C12
Synonym	3h-imidazo 4,5-c pyridine,1h-imidazo 4,5-c pyridine,5-azabenzimidazole,3,5-diazaindole,5h-imidazo 4,5-c pyridine,imidazo 4,5-c pyridine,5-aza-1h-benzoimidazole,5-aza-benzimidazole
IUPAC Name	3H-imidazo[4,5-c]pyridine
InChI Key	UBOOKRVGOBKDMM-UHFFFAOYSA-N
Molecular Formula	C6H5N3

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2-Ethylpyrrole, 98%, Thermo Scientific Chemicals

CAS: 1551-06-0 Molecular Formula: C6H9N Molecular Weight (g/mol): 95.15 MDL Number: MFCD00060477 InChI Key: XRPDDDRNQJNHLQ-UHFFFAOYSA-N PubChem CID: 137075 IUPAC Name: 2-ethyl-1H-pyrrole SMILES: CCC1=CC=CN1

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PubChem CID	137075
CAS	1551-06-0
Molecular Weight (g/mol)	95.15
MDL Number	MFCD00060477
SMILES	CCC1=CC=CN1
IUPAC Name	2-ethyl-1H-pyrrole
InChI Key	XRPDDDRNQJNHLQ-UHFFFAOYSA-N
Molecular Formula	C6H9N

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4-Benzylpyridine, 97%, Thermo Scientific™

CAS: 2116-65-6 Molecular Formula: C12H11N Molecular Weight (g/mol): 169.23 MDL Number: MFCD00006443 InChI Key: DBOLXXRVIFGDTI-UHFFFAOYSA-N Synonym: pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine PubChem CID: 16458 IUPAC Name: 4-benzylpyridine SMILES: C(C1=CC=CC=C1)C1=CC=NC=C1

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PubChem CID	16458
CAS	2116-65-6
Molecular Weight (g/mol)	169.23
MDL Number	MFCD00006443
SMILES	C(C1=CC=CC=C1)C1=CC=NC=C1
Synonym	pyridine, 4-phenylmethyl,pyridine, 4-benzyl,4-benzyl-pyridine,gamma-benzylpyridine,.gamma.-benzylpyridine,4-phenylmethyl pyridine,unii-1p29gqm0oh,1p29gqm0oh,4-benzyl pyridine,4-benzylpyridine
IUPAC Name	4-benzylpyridine
InChI Key	DBOLXXRVIFGDTI-UHFFFAOYSA-N
Molecular Formula	C12H11N

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3-Thiopheneethanol, 98%, Thermo Scientific Chemicals

CAS: 13781-67-4 Molecular Formula: C6H8OS Molecular Weight (g/mol): 128.19 MDL Number: MFCD00009766 InChI Key: YYPNNBPPDFTQFX-UHFFFAOYSA-N Synonym: 2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415 PubChem CID: 83731 IUPAC Name: 2-thiophen-3-ylethanol SMILES: OCCC1=CSC=C1

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PubChem CID	83731
CAS	13781-67-4
Molecular Weight (g/mol)	128.19
MDL Number	MFCD00009766
SMILES	OCCC1=CSC=C1
Synonym	2-thiophen-3-yl ethanol,3-thiopheneethanol,2-3-thienyl ethanol,thiophene-3-ethanol,3-2-hydroxyethyl thiophene,2-thiophen-3-yl ethan-1-ol,2-thien-3-yl ethan-1-ol,3-thiophene-ethanol,pubchem20415
IUPAC Name	2-thiophen-3-ylethanol
InChI Key	YYPNNBPPDFTQFX-UHFFFAOYSA-N
Molecular Formula	C6H8OS

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6-Methylquinoline, 98%, Thermo Scientific Chemicals

CAS: 91-62-3 Molecular Formula: C10H9N Molecular Weight (g/mol): 143.19 MDL Number: MFCD00006804 InChI Key: LUYISICIYVKBTA-UHFFFAOYSA-N Synonym: quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887 PubChem CID: 7059 IUPAC Name: 6-methylquinoline SMILES: CC1=CC=C2N=CC=CC2=C1

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PubChem CID	7059
CAS	91-62-3
Molecular Weight (g/mol)	143.19
MDL Number	MFCD00006804
SMILES	CC1=CC=C2N=CC=CC2=C1
Synonym	quinoline, 6-methyl,p-toluquinoline,6-methyl-quinoline,tolliquinoline, p,ccris 407,fema no. 2744,quinoline, 6-methyl-8ci,9ci,dsstox_cid_887,dsstox_rid_75844,dsstox_gsid_20887
IUPAC Name	6-methylquinoline
InChI Key	LUYISICIYVKBTA-UHFFFAOYSA-N
Molecular Formula	C10H9N

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