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Substance Name: Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)
RN: 102582-88-7
InChIKey: KOOKZKIVNMVZBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O2-S.C6-H15-N-O3

Molecular Weight

  • 331.431
 
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Names and Synonyms

Synonyms

  • ((4-Methylphenyl)thio)acetic acid 2,2',2''-nitrilotris(ethanol) (1:1)
  • (4-Methylphenylthio)acetic acid triethanolamine
  • (p-Tolylthio)acetic acid compd. with 2,2',2''-nitrilotrisethanol (1:1)
  • Acetic acid, (p-tolylthio)-, compd. with 2,2',2''-nitrilotrisethanol (1:1)
  • Ethanol, 2,2',2''-nitrilotris-, ((4-methylphenyl)thio)acetate (salt)

Systematic Name

  • Acetic acid, ((4-methylphenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 102582-88-7

System Generated Number

  • 0102582887

Molecular Formulas

Molecular Formula

  • C9-H10-O2-S.C6-H15-N-O3

Molecular Formula Fragments

  • C6-H15-N-O3
  • C9-H10-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10O2S.C6H15NO3/c1-7-2-4-8(5-3-7)12-6-9(10)11;8-4-1-7(2-5-9)3-6-10/h2-5H,6H2,1H3,(H,10,11);8-10H,1-6H2

InChIKey

KOOKZKIVNMVZBT-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)SCC(=O)[O-].[NH+](CCO)(CCO)CCO

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.