{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid structure

{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid

2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic acid

Also Known As: ZERO/006194|{[3-(benzylsulfonyl)-5-nitrophenyl]thio}acetic acid|2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic acid|2-{5-nitro-3-[benzylsulfonyl]phenylthio}acetic acid|2-((3-(Benzylsulfonyl)-5-nitrophenyl)thio)acetic acid|2-(3-benzylsulfonyl-5-nitro-phenyl)sulfanylacetic acid|{[3-Nitro-5-(phenylmethanesulfonyl)phenyl]sulfanyl}acetic acid|2-[[3-Nitro-5-[(phenylmethyl)sulfonyl]phenyl]thio]acetic acid

CAS: 883291-52-9
Molecular Formula C15H13NO6S2
Molecular Weight 367.01843 g/mol
LogP 2.7454
Topological Polar Surface Area 114.58 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 367.01843
Monoisotopic Mass 367.01843
Heavy Atoms 24
Complexity 864.78796

Chemical Identifiers

CAS Number 883291-52-9
SMILES C1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)SCC(=O)O)[N+](=O)[O-]

Product Overview

{[3-(Benzylsulfonyl)-5-nitrophenyl]thio}acetic acid (CAS 883291-52-9), with molecular formula C15H13NO6S2 and molecular weight 367.01843 g/mol. IUPAC: 2-(3-benzylsulfonyl-5-nitrophenyl)sulfanylacetic 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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