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Isothioureas

Organosulfur compounds that are isomers of thiourea where the double bond is between carbon and nitrogen instead of between carbon and sulfur; thioureas are structurally similar to urea, except that the oxygen atom is replaced by a sulfur atom.
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1

Methyl aminomethanimidothioate hydroiodide, 95%, Thermo Scientific™

CAS: 4338-95-8 Molecular Formula: C2H7IN2S Molecular Weight (g/mol): 218.06 MDL Number: MFCD00035598 InChI Key: LFXAECSQJSRSTP-UHFFFAOYSA-N Synonym: methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide PubChem CID: 197812 SMILES: [H+].[I-].CSC(N)=N

PubChem CID 197812
CAS 4338-95-8
Molecular Weight (g/mol) 218.06
MDL Number MFCD00035598
SMILES [H+].[I-].CSC(N)=N
Synonym methyl aminomethanimidothioate hydroiodide,sulfiode,methylthiouronium iodide,methyl carbamimidothioate hydroiodide,s-methylthiuronium iodide,s-methylthiouronium iodide,s-methylisothiouronium iodide,2-methyl-2-thiopseudourea hydroiodide,2-methylisothiouronium iodide,s-methylisothiourea hydriodide
InChI Key LFXAECSQJSRSTP-UHFFFAOYSA-N
Molecular Formula C2H7IN2S
2

2-(Methylthio)-4,5-dihydro-1H-imidazole hydrobromide, Thermo Scientific™

CAS: 40241-78-9 Molecular Formula: C4H9BrN2S Molecular Weight (g/mol): 197.094 MDL Number: MFCD01570110 InChI Key: UPISCLUJZRQPPJ-UHFFFAOYSA-N Synonym: 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1 PubChem CID: 2777335 IUPAC Name: 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide SMILES: CSC1=NCCN1.Br

PubChem CID 2777335
CAS 40241-78-9
Molecular Weight (g/mol) 197.094
MDL Number MFCD01570110
SMILES CSC1=NCCN1.Br
Synonym 2-methylthio-4,5-dihydro-1h-imidazole hydrobromide,4,5-dihydro-2-methylthio-1h-imidazole monohydrobromide,2-methylsulfanyl-4,5-dihydro-1h-imidazole hydrobromide,2-methylthio-2-imidazoline, bromide,1h-imidazole,4,5-dihydro-2-methylthio-, hydrobromide 1:1
IUPAC Name 2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
InChI Key UPISCLUJZRQPPJ-UHFFFAOYSA-N
Molecular Formula C4H9BrN2S
3
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2-Aminothiazole, 97%

CAS: 96-50-4 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005325 InChI Key: RAIPHJJURHTUIC-UHFFFAOYSA-N Synonym: 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine PubChem CID: 2155 ChEBI: CHEBI:40782 IUPAC Name: 1,3-thiazol-2-amine SMILES: NC1=NC=CS1

PubChem CID 2155
CAS 96-50-4
Molecular Weight (g/mol) 100.14
ChEBI CHEBI:40782
MDL Number MFCD00005325
SMILES NC1=NC=CS1
Synonym 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine
IUPAC Name 1,3-thiazol-2-amine
InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular Formula C3H4N2S
4
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N,S-Dimethylisothiouronium hydriodide, 98%

CAS: 41306-45-0 Molecular Formula: C3H9IN2S Molecular Weight (g/mol): 232.083 MDL Number: MFCD00192092 InChI Key: UDUMWDDMSHXGGQ-UHFFFAOYSA-N Synonym: 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide PubChem CID: 12263909 IUPAC Name: methyl N'-methylcarbamimidothioate;hydroiodide SMILES: CN=C(N)SC.I

PubChem CID 12263909
CAS 41306-45-0
Molecular Weight (g/mol) 232.083
MDL Number MFCD00192092
SMILES CN=C(N)SC.I
Synonym 1,2-dimethyl-2-thiopseudourea hydriodide,1,2-dimethylisothiourea hydriodate,n,s-dimethyl-isothiourea hydroiodide,1,2-dimethyl-isothiourea hydroiodide,n,s-dimethylisothiouronium hydriodide,iminomethylthiomethyl methylamine, iodide,1,2-dimethyl-2-thiopseudoureahydriodide,n-methyl methylsulfanyl methanimidamide hydroiodide,n'-methyl methylsulfanyl methanimidamide hydroiodide
IUPAC Name methyl N'-methylcarbamimidothioate;hydroiodide
InChI Key UDUMWDDMSHXGGQ-UHFFFAOYSA-N
Molecular Formula C3H9IN2S
5
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2-Aminothiazole, 97%

CAS: 96-50-4 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005325 InChI Key: RAIPHJJURHTUIC-UHFFFAOYSA-N Synonym: 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine PubChem CID: 2155 ChEBI: CHEBI:40782 IUPAC Name: 1,3-thiazol-2-amine SMILES: NC1=NC=CS1

PubChem CID 2155
CAS 96-50-4
Molecular Weight (g/mol) 100.14
ChEBI CHEBI:40782
MDL Number MFCD00005325
SMILES NC1=NC=CS1
Synonym 2-aminothiazole,aminothiazole,2-thiazolamine,thiazol-2-amine,abadol,2-thiazolylamine,abadole,basedol,2-thiazylamine,4-thiazolin-2-onimine
IUPAC Name 1,3-thiazol-2-amine
InChI Key RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular Formula C3H4N2S
6
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2-Amino-4,5-dimethylthiazole hydrochloride, 97%

CAS: 71574-33-9 Molecular Formula: C5H9ClN2S Molecular Weight (g/mol): 164.651 MDL Number: MFCD00012711 InChI Key: XYTUTNQRQLAZLK-UHFFFAOYSA-N Synonym: 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride PubChem CID: 16211387 IUPAC Name: 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride SMILES: CC1=C(SC(=N1)N)C.Cl

PubChem CID 16211387
CAS 71574-33-9
Molecular Weight (g/mol) 164.651
MDL Number MFCD00012711
SMILES CC1=C(SC(=N1)N)C.Cl
Synonym 4,5-dimethylthiazol-2-amine hydrochloride,2-amino-4,5-dimethylthiazole hydrochloride,4,5-dimethyl-1,3-thiazol-2-amine hydrochloride,dimethyl-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 4,5-dimethyl-, monohydrochloride,acmc-209oj8,ksc496i8r,4,5-dimethylthiazol-2-amine hcl salt,4,5-dimethylthiazol-2-amine hcl,2-amino-4,5-dimethyl thiazole hydrochloride
IUPAC Name 4,5-dimethyl-1,3-thiazol-2-amine;hydrochloride
InChI Key XYTUTNQRQLAZLK-UHFFFAOYSA-N
Molecular Formula C5H9ClN2S
7
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S-(2-Aminoethyl)isothiourea dihydrobromide, 98%

CAS: 56-10-0 Molecular Formula: C3H11Br2N3S Molecular Weight (g/mol): 281.01 MDL Number: MFCD00037011 InChI Key: XDVMCVGTDUKDHL-UHFFFAOYSA-N Synonym: 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide PubChem CID: 5940 IUPAC Name: 2-aminoethyl carbamimidothioate;dihydrobromide SMILES: C(CSC(=N)N)N.Br.Br

PubChem CID 5940
CAS 56-10-0
Molecular Weight (g/mol) 281.01
MDL Number MFCD00037011
SMILES C(CSC(=N)N)N.Br.Br
Synonym 2-2-aminoethyl isothiourea dihydrobromide,antiradon,antirad,surrectan,ixecur,2-aminoethyl carbamimidothioate dihydrobromide,usaf xr-31,2-2-aminoethyl-2-thiopseudourea dihydrobromide,2-aminoethylisothiouronium dibromide,carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
IUPAC Name 2-aminoethyl carbamimidothioate;dihydrobromide
InChI Key XDVMCVGTDUKDHL-UHFFFAOYSA-N
Molecular Formula C3H11Br2N3S
8

Imetit dihydrobromide, 98%

CAS: 32385-58-3 Molecular Formula: C6H12Br2N4S Molecular Weight (g/mol): 332.06 MDL Number: MFCD00153816 InChI Key: DOBOYMKCRRLTRF-UHFFFAOYSA-N Synonym: imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide PubChem CID: 11957573 ChEBI: CHEBI:64151 IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide SMILES: Br.Br.NC(=N)SCCC1=CN=CN1

PubChem CID 11957573
CAS 32385-58-3
Molecular Weight (g/mol) 332.06
ChEBI CHEBI:64151
MDL Number MFCD00153816
SMILES Br.Br.NC(=N)SCCC1=CN=CN1
Synonym imetit dihydrobromide,imetit hydrobromide,s-2-imidazol-4-yl ethyl isothiourea,s-2-1h-imidazol-4-yl ethyl isothiourea dihydrobromide,2-1h-imidazol-4-yl ethyl carbamimidothioate dihydrobromide,s-2-imidazol-4-yl ethyl isothiourea dihydrobromide,imetit dihydrobromide hplc,s-2-imidazol-4-yl ethyl isothiourea 2hbr,s-2-imidazol-4-yl ethyl isothiourea dihydrochloride,2-2-1h-imidazol-5-yl ethyl isothiourea dihydrobromide
IUPAC Name 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide
InChI Key DOBOYMKCRRLTRF-UHFFFAOYSA-N
Molecular Formula C6H12Br2N4S
9

eMolecules​ 5539-46-8 | 5-Aminothiazole-4-carboxamide | MFCD11848433 | 1g

Ambeed | 5-Aminothiazole-4-carboxamide | 1g | 525189982 | A336425 | 5539-46-8 | MFCD11848433 | 143.160 | C4H5N3OS

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10

S-Benzylisothiouronium chloride, 98+%, Thermo Scientific™

CAS: 538-28-3 Molecular Formula: C8H11ClN2S Molecular Weight (g/mol): 202.7 MDL Number: MFCD00012583 InChI Key: WJAASTDRAAMYNK-UHFFFAOYSA-N Synonym: s-benzylisothiourea hydrochloride,2-benzyl-2-thiopseudourea hydrochloride,btkh,s-benzylthiuronium chloride,benzyl carbamimidothioate hydrochloride,s-benzylthiouronium chloride,benzylisothiourea hydrochloride,benzylthiuronium chloride,2-benzylisothiouronium chloride,benzylisothiuronium chloride PubChem CID: 10852 IUPAC Name: benzyl carbamimidothioate;hydrochloride SMILES: C1=CC=C(C=C1)CSC(=N)N.Cl

PubChem CID 10852
CAS 538-28-3
Molecular Weight (g/mol) 202.7
MDL Number MFCD00012583
SMILES C1=CC=C(C=C1)CSC(=N)N.Cl
Synonym s-benzylisothiourea hydrochloride,2-benzyl-2-thiopseudourea hydrochloride,btkh,s-benzylthiuronium chloride,benzyl carbamimidothioate hydrochloride,s-benzylthiouronium chloride,benzylisothiourea hydrochloride,benzylthiuronium chloride,2-benzylisothiouronium chloride,benzylisothiuronium chloride
IUPAC Name benzyl carbamimidothioate;hydrochloride
InChI Key WJAASTDRAAMYNK-UHFFFAOYSA-N
Molecular Formula C8H11ClN2S
11

2,3-Dihydroimidazo[2,1-b]benzothiazol-6-amine, 90%, Thermo Scientific™

CAS: 78291-99-3 Molecular Formula: C9H9N3S Molecular Weight (g/mol): 191.25 MDL Number: MFCD00044717 InChI Key: HJCGGAYYNMECPO-UHFFFAOYSA-N Synonym: 2,3-dihydroimidazo 2,1-b 1,3 benzothiazol-6-amine,2,3-dihydroimidazo 2,1-b benzothiazol-6-amine,2,3-dihydrobenzo d imidazo 2,1-b thiazol-6-amine,1,2-dihydroimidazo 2,1-b 1,3 benzothiazol-7-amine,4-hydro-2-imidazolino 2,1-b benzothiazole-6-ylamine,7-thia-2,5-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,5,9,11-tetraen-11-amine,6-amino-2,3-dihydroimidazo 2,1-b-benzothiazole,imidazo 2,1-b benzothiazol-6-amine,2,3-dihydro,7-thia-2,5-diazatricyclo 6.4.0.0 2 ,? dodeca-1 12 ,5,8,10-tetraen-11-amine PubChem CID: 658687 IUPAC Name: 7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),5,8,10-tetraen-11-amine SMILES: NC1=CC=C2SC3=NCCN3C2=C1

PubChem CID 658687
CAS 78291-99-3
Molecular Weight (g/mol) 191.25
MDL Number MFCD00044717
SMILES NC1=CC=C2SC3=NCCN3C2=C1
Synonym 2,3-dihydroimidazo 2,1-b 1,3 benzothiazol-6-amine,2,3-dihydroimidazo 2,1-b benzothiazol-6-amine,2,3-dihydrobenzo d imidazo 2,1-b thiazol-6-amine,1,2-dihydroimidazo 2,1-b 1,3 benzothiazol-7-amine,4-hydro-2-imidazolino 2,1-b benzothiazole-6-ylamine,7-thia-2,5-diazatricyclo 6.4.0.0 2 ,? dodeca-1 8 ,5,9,11-tetraen-11-amine,6-amino-2,3-dihydroimidazo 2,1-b-benzothiazole,imidazo 2,1-b benzothiazol-6-amine,2,3-dihydro,7-thia-2,5-diazatricyclo 6.4.0.0 2 ,? dodeca-1 12 ,5,8,10-tetraen-11-amine
IUPAC Name 7-thia-2,5-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),5,8,10-tetraen-11-amine
InChI Key HJCGGAYYNMECPO-UHFFFAOYSA-N
Molecular Formula C9H9N3S