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Substance Name: Benzenethiol, p-tert-butyl-
RN: 2396-68-1
InChIKey: GNXBFFHXJDZGEK-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-S

Molecular Weight

  • 166.287
 
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Names and Synonyms

Synonyms

  • 4-06-00-03316 (Beilstein Handbook Reference)
  • 4-tert-Butylbenzenethiol
  • 4-tert-Butylthiophenol
  • AI3-26176
  • Benzenethiol, p-tert-butylthio-
  • BRN 0606476
  • EINECS 219-255-6
  • NSC 26804
  • NSC 57807
  • p-tert-Butylbenzenethiol
  • p-tert-Butylphenyl mercaptan
  • p-tert-Butylthiophenol

Systematic Names

  • 4-tert-Butylbenzenethiol
  • Benzenethiol, 4-(1,1-dimethylethyl)-
  • Benzenethiol, 4-(1,1-dimethylethyl)- (9CI)
  • Benzenethiol, p-tert-butyl-

Registry Numbers

CAS Registry Number

  • 2396-68-1

System Generated Number

  • 0002396681

Structure Descriptors

InChI

1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3

InChIKey

GNXBFFHXJDZGEK-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)S)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00454,