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Substance Name: Acetic acid, ((4-methylphenyl)thio)-, compd. with 2-aminoethanol (1:1)
RN: 105892-16-8
InChIKey: IGBQDMIZUMHNIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H10-O2-S.C2-H7-N-O

Molecular Weight

  • 243.325
 
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Names and Synonyms

Synonym

  • ((4-Methylphenyl)thio)acetic acid 2-aminoethanol (1:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105892-16-8

System Generated Number

  • 0105892168

Molecular Formulas

Molecular Formula

  • C9-H10-O2-S.C2-H7-N-O

Molecular Formula Fragments

  • C2-H7-N-O
  • C9-H10-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10O2S.C2H7NO/c1-7-2-4-8(5-3-7)12-6-9(10)11;3-1-2-4/h2-5H,6H2,1H3,(H,10,11);4H,1-3H2

InChIKey

IGBQDMIZUMHNIK-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)SCC(=O)[O-].C(C[NH3+])O

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.