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Substance Name: Benzylmercaptoacetic acid
RN: 103-46-8
InChIKey: AWLVTQRRKPBQEQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O2-S

Molecular Weight

  • 182.242
 
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Names and Synonyms

Name of Substance

  • Benzylmercaptoacetic acid

Synonyms

  • EINECS 203-114-0
  • NSC 26553
  • S-Benzylthioglycolic acid

Systematic Names

  • (Benzylthio)acetic acid
  • Acetic acid, ((phenylmethyl)thio)-
  • Acetic acid, (benzylthio)- (8CI)
  • Acetic acid, 2-((phenylmethyl)thio)-

Registry Numbers

CAS Registry Number

  • 103-46-8

System Generated Number

  • 0000103468

Structure Descriptors

InChI

1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)

InChIKey

AWLVTQRRKPBQEQ-UHFFFAOYSA-N

Smiles

O=C(O)CSCc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
log P (octanol-water) 2.1 (none)   EXP
Water Solubility 2150 mg/L 25 EST
Vapor Pressure 1.08E-04 mm Hg 25 EST
Henry's Law Constant 4.72E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.