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Substance Name: Benzoic acid, 2-(phenylthio)-
RN: 1527-12-4
InChIKey: PMLBXJKQYSENQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O2-S

Molecular Weight

  • 230.286
 
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Names and Synonyms

Synonyms

  • 0-10-00-00126 (Beilstein Handbook Reference)
  • 2-(Phenylthio)benzoic acid
  • 2-Carboxydiphenyl sulfide
  • Benzoic acid, o-(phenylthio)-
  • BRN 2105456
  • EINECS 216-200-8
  • NSC 40917

Systematic Names

  • 2-(Phenylthio)benzoic acid
  • Benzoic acid, 2-(phenylthio)-
  • Benzoic acid, o-(phenylthio)-

Registry Numbers

CAS Registry Number

  • 1527-12-4

System Generated Number

  • 0001527124

Structure Descriptors

InChI

1S/C13H10O2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)

InChIKey

PMLBXJKQYSENQH-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)Sc1ccccc1

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.