1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea

Base Information

• Chemical Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
• CAS No.: 62638-88-4
• Molecular Formula: C16H15 N5 O S2
• Molecular Weight: 357.4532
• DSSTox Substance ID: DTXSID20404763
• NSC Number: 289085

Synonyms:62638-88-4;1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea;2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-[(phenylcarbamothioyl)amino]acetamide;F0017-0328;NSC289085;DTXSID20404763;1-(2-BENZIMIDAZOL-2-YLTHIOACETYL)-4-PHENYLTHIOSEMICARBAZIDE;MFCD00170956;2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide;AKOS002233926;MS-9173;NSC-289085;SR-01000004716;SR-01000004716-1;2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetyl)-N-phenylhydrazine-1-carbothioamide;2-[(1H-BENZIMIDAZOL-2-YLSULFANYL)ACETYL]-N-PHENYLHYDRAZINECARBOTHIOAMIDE

Chemical Property of 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.46g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 357.07180247
• Heavy Atom Count: 24
• Complexity: 444

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3N2

Technology Process of 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea

There total 1 articles about 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-((1H-benzo[d]imidazole-2-yl)thio)acetohydrazide (30065-27-1) + phenyl isothiocyanate (103-72-0) → 1-(2-benzimidazolylthioacetyl)-4-phenylthiosemicarbazide (62638-88-4)

Guidance literature:

In methanol; for 1h; Heating;

DOI:10.1007/BF02464123

Reference yield: 93.0%

α-bromoacetophenone (70-11-1) + 1-(2-benzimidazolylthioacetyl)-4-phenylthiosemicarbazide (62638-88-4) → 2-phenylimino-3-[(2-benzimidazolylthio)acetamino]-4-phenyl-4-thiazoline hydrobromide

Guidance literature:

In methanol; at 60 - 65 ℃; for 1h;

DOI:10.1007/BF02464123

Reference yield: 92.0%

2-Bromo-4'-methoxyacetophenone (2632-13-5) + 1-(2-benzimidazolylthioacetyl)-4-phenylthiosemicarbazide (62638-88-4) → 2-phenylimino-3-[(2-benzimidazolylthio)acetamino]-4-hydroxy-4-(4-methoxyphenyl)thiazolidine

Guidance literature:

In methanol; at 60 - 65 ℃; for 1h;

DOI:10.1007/BF02464123

upstream raw materials:

2-((1H-benzo[d]imidazole-2-yl)thio)acetohydrazide

phenyl isothiocyanate

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