2-[(1H-Pyrrole-2-carbothioyl)amino]benzamide

Base Information

Chemical Name:2-[(1H-Pyrrole-2-carbothioyl)amino]benzamide
CAS No.:89812-77-1
Molecular Formula:C12H11N3OS
Molecular Weight:245.305
Hs Code.:
DSSTox Substance ID:DTXSID70520124
Wikidata:Q82383803

Synonyms:89812-77-1;2-(1H-Pyrrole-2-carbothioamido)benzamide;2-[(1H-Pyrrole-2-carbothioyl)amino]benzamide;DTXSID70520124

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

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]benzamide

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:245.06228316
Heavy Atom Count:17
Complexity:308

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 3 articles about 2-[(1H-Pyrrole-2-carbothioyl)amino]benzamide 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: 73.0%

: 89812-76-0
2-(2-Pyrrolyl)-4H-3,1-benzothiazin-4-one

: 89812-77-1
N-(2-Aminocarbonylphenyl)-pyrrole-2-thiocarboxamide

Guidance literature:: With ammonia; In ethanol; for 1h; Ambient temperature;
DOI:10.1055/s-1984-30735

Reference yield:

: 16024-82-1
methyl 2-isothiocyanatobenzoate

: 89812-77-1
N-(2-Aminocarbonylphenyl)-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: 73 percent / NH₃ / ethanol / 1 h / Ambient temperature

With hydrogenchloride; ammonia; acetic acid; In ethanol;
DOI:10.1055/s-1984-30735

Reference yield:

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

: 89812-77-1
N-(2-Aminocarbonylphenyl)-pyrrole-2-thiocarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / CH₃COOH, conc. HCl / 0.17 h

2: 73 percent / NH₃ / ethanol / 1 h / Ambient temperature

With hydrogenchloride; ammonia; acetic acid; In ethanol;
DOI:10.1055/s-1984-30735