1-Benzoyl-4-phenylthiosemicarbazide

Base Information

• Chemical Name: 1-Benzoyl-4-phenylthiosemicarbazide
• CAS No.: 13153-01-0
• Molecular Formula: C14H13N3OS
• Molecular Weight: 271.343
• Hs Code.: 2930909090
• European Community (EC) Number: 665-335-2
• NSC Number: 507159
• DSSTox Substance ID: DTXSID50157098
• Nikkaji Number: J2.060.945A
• ChEMBL ID: CHEMBL1323332
• Mol file: 13153-01-0.mol

Synonyms:1-benzoyl-4-phenyl-3-thiosemicarbazide

Chemical Property of 1-Benzoyl-4-phenylthiosemicarbazide

Chemical Property:

• PSA: 85.25000
• Density: 1.308g/cm³
• LogP: 3.17280
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 271.07793322
• Heavy Atom Count: 19
• Complexity: 310

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2

Technology Process of 1-Benzoyl-4-phenylthiosemicarbazide

There total 15 articles about 1-Benzoyl-4-phenylthiosemicarbazide 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: 95.0%

phenyl isothiocyanate (103-72-0) + benzoic acid hydrazide (613-94-5) → 1-benzoyl-4-phenyl-3-thiosemicarbazide (13153-01-0)

Guidance literature:

In ethanol; for 0.0416667h; microwave irradiation;

DOI:10.1080/07328300802030795

Reference yield: 94.0%

→ 1-benzoyl-4-phenyl-3-thiosemicarbazide (13153-01-0)

Guidance literature:

Reference yield: 92.0%

5-phenyl-1,3,4-oxadiazole-2(3H)-thione (3004-42-0) + aniline (62-53-3) → 1-benzoyl-4-phenyl-3-thiosemicarbazide (13153-01-0)

Guidance literature:

In various solvent(s); at 70 ℃; for 48h;

upstream raw materials:

benzoyl chloride

4-Phenyl-3-thiosemicarbazide

ethanol

phenyl isothiocyanate

Downstream raw materials:

5-Phenyl-2-phenylamino-1,3,4-thiadiazol

4,5-diphenyl-2,4-dihydro-[1,2,4]triazole-3-thione

2-phenylamino-5-phenyl-1,3,4-oxadiazole

1-acetyl-2-benzoylhydrazine