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Substance Name: Benzoic acid, thio-, S-phenyl ester
RN: 884-09-3
InChIKey: VCQYDZJGTXAFRL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O-S

Molecular Weight

  • 214.287
 
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Names and Synonyms

Synonyms

  • 4-09-00-01365 (Beilstein Handbook Reference)
  • Benzenecarbothioic acid, S-phenyl ester
  • BRN 2047040
  • S-Phenyl thiobenzoate

Systematic Name

  • Benzoic acid, thio-, S-phenyl ester

Registry Numbers

CAS Registry Number

  • 884-09-3

System Generated Number

  • 0000884093

Structure Descriptors

InChI

1S/C13H10OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChIKey

VCQYDZJGTXAFRL-UHFFFAOYSA-N

Smiles

C(Sc1ccccc1)(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.