[(2-Chlorobenzyl)thio]acetic acid structure

[(2-Chlorobenzyl)thio]acetic acid

2-[(2-chlorophenyl)methylsulfanyl]acetic acid

Also Known As: [(2-chlorobenzyl)thio]acetic acid|2-((2-Chlorobenzyl)thio)acetic acid|o-Chlorobenzylmercaptoacetic acid|2-[(2-chlorophenyl)methylsulfanyl]acetic acid|2-{[(2-chlorophenyl)methyl]sulfanyl}acetic acid|2-((2-Chlorobenzyl)thio)aceticacid|SP4203|Acetic acid, [[ (2-chlorophenyl)methyl]thio]-|[(2-chlorobenzyl)sulfanyl]acetic acid|[(2-CHLOROBENZYL)THIO]ACETICACID|NCGC00341451-01|Acetic acid, [[(2-chlorophenyl)methyl]thio]-|W-9758|{[(2-CHLOROPHENYL)METHYL]SULFANYL}ACETIC ACID|AB01332238-02

CAS: 66516-65-2
Molecular Formula C9H9ClO2S
Molecular Weight 216.00117 g/mol
LogP 2.6
Topological Polar Surface Area 62.6 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 216.00117
Monoisotopic Mass 216.00117
Heavy Atoms 13
Complexity 175.0

Chemical Identifiers

CAS Number 66516-65-2
SMILES C1=CC=C(C(=C1)CSCC(=O)O)Cl
InChIKey WRXHOHCNQNSYIN-UHFFFAOYSA-N

Product Overview

[(2-Chlorobenzyl)thio]acetic acid (CAS 66516-65-2), with molecular formula C9H9ClO2S and molecular weight 216.00117 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]acetic 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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