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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

(-)-Benzotetramisole 98.0+%, TCI America™

CAS: 950194-37-3 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 InChI Key: YGCWPCVAVSIFLO-GFCCVEGCSA-N Synonym: (-)-BTM, (2S)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole PubChem CID: 17747785 IUPAC Name: (2S)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole SMILES: C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4

PubChem CID 17747785
CAS 950194-37-3
Molecular Weight (g/mol) 252.335
SMILES C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4
Synonym (-)-BTM, (2S)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole
IUPAC Name (2S)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI Key YGCWPCVAVSIFLO-GFCCVEGCSA-N
Molecular Formula C15H12N2S
3

(+)-Benzotetramisole 97.0+%, TCI America™

CAS: 885051-07-0 Molecular Formula: C15H12N2S Molecular Weight (g/mol): 252.335 InChI Key: YGCWPCVAVSIFLO-LBPRGKRZSA-N Synonym: (2R)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole, (+)-BTM PubChem CID: 11557884 IUPAC Name: (2R)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole SMILES: C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4

PubChem CID 11557884
CAS 885051-07-0
Molecular Weight (g/mol) 252.335
SMILES C1C(N=C2N1C3=CC=CC=C3S2)C4=CC=CC=C4
Synonym (2R)-2,3-Dihydro-2-phenylimidazo[2,1-b]benzothiazole, (+)-BTM
IUPAC Name (2R)-2-phenyl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
InChI Key YGCWPCVAVSIFLO-LBPRGKRZSA-N
Molecular Formula C15H12N2S
4

2-Amino-4,5-dimethylthiazole Hydrochloride 98.0+%, TCI America™

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
5

Sigma Aldrich 2-Oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl chloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
6

eMolecules​ 2-Aminothiazole | Combi-Blocks | 96-50-4 | MFCD00005325 | 100.140 | C3H4N2S | 98.000 | Nc1nccs1 | 25g | 290686710

2-Aminothiazole | Combi-Blocks | 96-50-4 | MFCD00005325 | 100.140 | C3H4N2S | 98.000 | Nc1nccs1 | 25g | 290686710

ENCOMPASS_PREFERRED
7

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