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Substance Name: Benzenesulfonothioic acid, 4-methyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride (9CI)
RN: 63980-06-3
InChIKey: UOUBDKJPZIJHLH-UHFFFAOYSA-N

Molecular Formula

  • C13-H21-N-O2-S2.Cl-H

Molecular Weight

  • 323.907
 
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Names and Synonyms

Synonyms

  • Ethylamine, N,N-diethyl-2-(p-toluene sulfonylthio)-, hydrochloride
  • N,N-Diethyl-2-(p-toluenesulfonylthio)ethylamine hydrochloride
  • p-Toluenethiosulfonic acid, S-ester with 2-(diethylamino)ethanethiol, hydrochloride
  • USAF IN-817

Systematic Names

  • Benzenesulfonothioic acid, 4-methyl-, S-(2-(diethylamino)ethyl) ester, hydrochloride (9CI)
  • o-Toluenesulfonic acid, S-ester with 2-(diethylamino)ethanethiol, hydrochloride

Registry Numbers

CAS Registry Number

  • 63980-06-3

System Generated Number

  • 0063980063

Molecular Formulas

Molecular Formula

  • C13-H21-N-O2-S2.Cl-H

Molecular Formula Fragments

  • C13-H21-N-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H21NO2S2.ClH/c1-4-14(5-2)10-11-17-18(15,16)13-8-6-12(3)7-9-13;/h6-9H,4-5,10-11H2,1-3H3;1H

InChIKey

UOUBDKJPZIJHLH-UHFFFAOYSA-N

Smiles

S(c1ccc(cc1)C)(=O)(=O)SCCN(CC)CC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,