2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid

Base Information

Chemical Name:2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid
CAS No.:89812-75-9
Molecular Formula:C₁₂H₁₀N₂O₂S
Molecular Weight:246.29
Hs Code.:
DSSTox Substance ID:DTXSID10520123
Wikidata:Q82383801

Synonyms:89812-75-9;2-(1H-Pyrrole-2-carbothioamido)benzoic acid;2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid;DTXSID10520123

Suppliers and Price of 2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid

Chemical Property:

PSA：97.21000
LogP:2.57350
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:246.04629874
Heavy Atom Count:17
Complexity:309

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)NC(=S)C2=CC=CN2

Technology Process of 2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid

There total 3 articles about 2-[(1H-Pyrrole-2-carbothioyl)amino]benzoic acid 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: 86.0%

: 89812-71-5
N-(2-Methoxycarbonylphenyl)-pyrrole-2-thiocarboxamide

: 89812-75-9
N-(2-Carboxyphenyl)-pyrrole-2-thiocarboxamide

Guidance literature:: With sodium hydroxide; for 0.0833333h;
DOI:10.1055/s-1984-30735

Reference yield:

: 16024-82-1
methyl 2-isothiocyanatobenzoate

: 89812-75-9
N-(2-Carboxyphenyl)-pyrrole-2-thiocarboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 61 percent / 72 h

2: 89 percent / CH₃COOH, conc. HCl / 0.17 h

3: 10percent aq. NaOH / 0.33 h

With hydrogenchloride; sodium hydroxide; acetic acid;
DOI:10.1055/s-1984-30735