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Substance Name: Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)
RN: 105892-09-9
InChIKey: WBCTXKQLKAYFAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2-S.C4-H11-N-O

Molecular Weight

  • 291.797
 
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Names and Synonyms

Synonym

  • ((4-Chlorophenyl)thio)acetic acid 2-(dimethylamino)ethanol (1:1)

Systematic Name

  • Acetic acid, ((4-chlorophenyl)thio)-, 2-(dimethylamino)ethanol (1:1)

Registry Numbers

CAS Registry Number

  • 105892-09-9

System Generated Number

  • 0105892099

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O2-S.C4-H11-N-O

Molecular Formula Fragments

  • C4-H11-N-O
  • C8-H7-Cl-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7ClO2S.C4H11NO/c9-6-1-3-7(4-2-6)12-5-8(10)11;1-5(2)3-4-6/h1-4H,5H2,(H,10,11);6H,3-4H2,1-2H3

InChIKey

WBCTXKQLKAYFAQ-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)SCC(O)=O.C(N(C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 3gm/kg (3000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 180, 1986.