N'-Phenylbenzenecarbothiohydrazide

Base Information

• Chemical Name: N'-Phenylbenzenecarbothiohydrazide
• CAS No.: 13437-75-7
• Molecular Formula: C13H12N2S
• Molecular Weight: 228.318
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID901347963
• Nikkaji Number: J122.236H
• Mol file: 13437-75-7.mol

Synonyms:N'-Phenylbenzenecarbothiohydrazide;N'-Phenylbenzothiohydrazide;1-Phenyl-2-(thiobenzoyl)hydrazine;13437-75-7;Benzenecarbothioic acid, 2-phenylhydrazide;Benzoic acid, thio-, 2-phenylhydrazide;SCHEMBL11749870;N-Thiobenzoyl-N'-phenylhydrazine;AWAWNMNDLBQMDV-UHFFFAOYSA-N;DTXSID901347963;HMS1666L01;N'-phenyl-benzenecarbothiohydrazide;N/'-Phenylbenzenecarbothiohydrazide;N-Phenyl-N'-(thiobenzoyl)hydrazine;N'-Phenylbenzenecarbothiohydrazide #;CCG-41185;N'-PHENYLBENZOTHIOCARBOHYDRAZIDE;N-phenylbenzenecarbohydrazonothioic acid;SR-01000631280-1

Chemical Property of N'-Phenylbenzenecarbothiohydrazide

Chemical Property:

• Melting Point: 92 °C
• Boiling Point: 348.7±25.0 °C(Predicted)
• PKA: 6.57±0.70(Predicted)
• PSA: 56.15000
• Density: 1.234±0.06 g/cm3(Predicted)
• LogP: 3.44270
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.07211956
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

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(=S)NNC2=CC=CC=C2

Technology Process of N'-Phenylbenzenecarbothiohydrazide

There total 13 articles about N'-Phenylbenzenecarbothiohydrazide 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: 79.0%

phenylhydrazine (100-63-0) + Carboxymethyl dithiobenzoate (942-91-6) → N-Phenyl-N'-thiobenzoyl-hydrazin (13437-75-7)

Guidance literature:

With alkali; In water;

DOI:10.1039/P19810000360

Reference yield: 66.0%

benzylidenecyanothioacetamide (40219-06-5) → Benzylidenemalononitrile (2700-22-3) + N-Phenyl-N'-thiobenzoyl-hydrazin (13437-75-7)

Guidance literature:

With 1,3-diphenylhydrazonoyl chloride; triethylamine; In ethanol; for 0.5h; Ambient temperature;

Reference yield: 66.0%

N-phenylbenzohydrazonoyl chloride (15424-14-3) → Benzylidenemalononitrile (2700-22-3) + N-Phenyl-N'-thiobenzoyl-hydrazin (13437-75-7)

Guidance literature:

With triethylamine; 3-phenyl-2-cyanothioacrylamide; In ethanol; for 0.5h; Ambient temperature;

upstream raw materials:

Thiobenzoic acid O-ethyl ester

diethyl ether

phenylhydrazine

dithiobenzoic acid

Downstream raw materials:

N-acetyl-N-phenyl-N'-thiobenzoylphenylhydrazine

2,4-Diphenyl-1,3,4-thiadiazolin

Refernces

• 1、 Askari, Syed H.,Moss, Stephen F.,Taylor, David R.. "Thiadiazoles and Thiadiazolines. Part 1. Reaction of Thiourea and Ethylenethiourea with Chlorodiazabutadienes: a New Route to 4-Amidino-1,3,4-thiadiazolines". . p. 360 - 365. Retrieved 2007/10/02.