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Substance Name: Benzeneacetic acid, alpha-methyl-2-(phenylthio)- (9CI)
RN: 58844-68-1
InChIKey: HKPDQCFSNKWQOH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-O2-S

Molecular Weight

  • 258.3396
 
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Names and Synonyms

Synonyms

  • 2-(2'-Phenylthio)phenylpropionic acid
  • alpha-Methyl-2-(phenylthio)benzeneacetic acid
  • BRN 2126218

Systematic Names

  • Benzeneacetic acid, alpha-methyl-2-(phenylthio)- (9CI)
  • Propionic acid, 2-(o-(phenylthio)phenyl)-

Registry Numbers

CAS Registry Number

  • 58844-68-1

System Generated Number

  • 0058844681

Structure Descriptors

InChI

1S/C15H14O2S/c1-11(15(16)17)13-9-5-6-10-14(13)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)

InChIKey

HKPDQCFSNKWQOH-UHFFFAOYSA-N

Smiles

CC(c1ccccc1Sc2ccccc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 798, 1976.