Acetic acid, [(phenylthioxomethyl)thio]-

2-(benzenecarbonothioylsulfanyl)acetic acid

CAS: 942-91-6

Molecular Formula	`C9H8O2S2`
Molecular Weight	212.3 g/mol
LogP	2.5
Topological Polar Surface Area	94.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	211.99657
Heavy Atoms	13
Complexity	198.0

Chemical Identifiers

CAS Number	942-91-6
SMILES	`C1=CC=C(C=C1)C(=S)SCC(=O)O`
InChIKey	`XBEIANFIOZTEDE-UHFFFAOYSA-N`

📖 Product Overview

Acetic acid, [(phenylthioxomethyl)thio]- (CAS: 942-91-6) is a chemical compound with molecular formula C9H8O2S2 and molecular weight 212.3 g/mol. Its IUPAC systematic name is 2-(benzenecarbonothioylsulfanyl)acetic acid. LogP 2.5 Topological Polar Surface Area 94.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 211.99657 Heavy Atoms 13 Complexity 198.0 InChI Key: XBEIANFIOZTEDE-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C(=S)SCC(=O)O.

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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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