Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-

Base Information

• Chemical Name: Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-
• CAS No.: 1223-21-8
• Molecular Formula: C14H12N2O2S
• Molecular Weight: 272.327
• ChEMBL ID: CHEMBL9456
• DSSTox Substance ID: DTXSID80406324
• Mol file: 1223-21-8.mol

Synonyms:1223-21-8;Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-;ST50159660;CHEMBL9456;SCHEMBL11517562;DTXSID80406324;AKOS002271790

Chemical Property of Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 272.06194880
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

95% ^*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)NC2=CC=CC(=C2)C(=O)O

Technology Process of Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]-

There total 3 articles about Benzoic acid, 3-[[(phenylamino)thioxomethyl]amino]- 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:

phenyl isothiocyanate (103-72-0) + meta-aminobenzoic acid (99-05-8,159139-79-4) → 1,1-diphenylthiourea (3898-08-6) + N-(3-Carboxy-phenyl)-N'-phenyl-thioharnstoff (1223-21-8)

Guidance literature:

at 100 ℃; im Druckrohr;

Reference yield:

phenyl isothiocyanate (103-72-0) + meta-aminobenzoic acid (99-05-8,159139-79-4) → N-(3-Carboxy-phenyl)-N'-phenyl-thioharnstoff (1223-21-8)

Guidance literature:

at 100 ℃; im geschlossenen Rohr;

Reference yield:

3-isothiocyanatobenzoic acid (2131-63-7) + aniline (62-53-3) → N-(3-Carboxy-phenyl)-N'-phenyl-thioharnstoff (1223-21-8)

Guidance literature:

upstream raw materials:

phenyl isothiocyanate

meta-aminobenzoic acid

3-isothiocyanatobenzoic acid

aniline

Downstream raw materials:

3-acetylaminobenzoic acid

phenyl isothiocyanate