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Substance Name: Tibenzate [INN]
RN: 13402-51-2
UNII: 0I93JSA6L6
InChIKey: IXTYVGVNWHFZBK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Nematocide

Molecular Formula

  • C14-H12-O-S

Molecular Weight

  • 228.314
 
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Names and Synonyms

Name of Substance

  • Tibenzate [INN]

Synonyms

  • 4-09-00-01365 (Beilstein Handbook Reference)
  • AI3-16937
  • alpha-Toluenethiol, benzoate (6CI)
  • Benzyl thiobenzoate
  • BRN 2049281
  • NSC 79263
  • S-Benzyl benzenecarbothioate
  • S-Benzyl benzothioate
  • S-Benzyl thiobenzoate
  • Thiobenzoic acid, S-benzyl ester
  • Tibenzate
  • Tibenzato
  • Tibenzato [INN-Spanish]
  • Tibenzatum
  • Tibenzatum [INN-Latin]
  • UNII-0I93JSA6L6

Systematic Names

  • Benzenecarbothioic acid, S-(phenylmethyl) ester (9CI)
  • Benzoic acid, thio-, S-benzyl ester
  • S-Benzyl thiobenzoate

Registry Numbers

CAS Registry Number

  • 13402-51-2

FDA UNII

  • 0I93JSA6L6

System Generated Number

  • 0013402512

Structure Descriptors

InChI

1S/C14H12OS/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

IXTYVGVNWHFZBK-UHFFFAOYSA-N

Smiles

c1(C(SCc2ccccc2)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02522,
mouse LD50 oral 1550mg/kg (1550mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 1179, 1969.