2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid structure

2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid

2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid

Also Known As: CCG-4943|BAS 06259181|2-[(methoxycarbonyl)amino]-1H-benzimidazole-6-sulfonic acid|2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid|2-Methoxycarbonylamino-1H-benzoimidazole-5-sulfonic acid|2-[(methoxycarbonyl)amino]-1H-benzimidazole-5-sulfonic acid

CAS: 79213-79-9
Molecular Formula C9H9N3O5S
Molecular Weight 271.0263 g/mol
LogP 0.9879
Topological Polar Surface Area 121.38 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 271.0263
Monoisotopic Mass 271.0263
Heavy Atoms 18
Complexity 706.06146

Chemical Identifiers

CAS Number 79213-79-9
SMILES COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)O

Product Overview

2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid (CAS 79213-79-9), with molecular formula C9H9N3O5S and molecular weight 271.0263 g/mol. IUPAC: 2-(methoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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