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Substance Name: Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride
RN: 1131-81-3
InChIKey: ZMEWWDYOARHDKI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-N-S.Cl-H

Molecular Weight

  • 231.789
 
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Names and Synonyms

Synonym

  • alpha-(((1-Methylethyl)amino)methyl)benzenemethanethiol hydrochloride

Systematic Name

  • Benzenemethanethiol, alpha-(((1-methylethyl)amino)methyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1131-81-3

System Generated Number

  • 0001131813

Molecular Formulas

Molecular Formula

  • C11-H17-N-S.Cl-H

Molecular Formula Fragments

  • C11-H17-N-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H17NS.ClH/c1-9(2)12-8-11(13)10-6-4-3-5-7-10;/h3-7,9,11-13H,8H2,1-2H3;1H

InChIKey

ZMEWWDYOARHDKI-UHFFFAOYSA-N

Smiles

S[C@@H](c1ccccc1)CNC(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 116mg/kg (116mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.