Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)
RN: 105892-13-5
InChIKey: XJQIJANVRFEVNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-Cl-O2-S.C5-H11-N-O2

Molecular Weight

  • 319.807
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • ((4-Chlorophenyl)thio)acetic acid 3-oxazolidineethanol (1:1)

Systematic Name

  • Acetic acid, ((4-chlorophenyl)thio)-, compd. with 3-oxazolidineethanol (1:1)

Registry Numbers

CAS Registry Number

  • 105892-13-5

System Generated Number

  • 0105892135

Molecular Formulas

Molecular Formula

  • C8-H7-Cl-O2-S.C5-H11-N-O2

Molecular Formula Fragments

  • C5-H11-N-O2
  • C8-H7-Cl-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C8H7ClO2S.C5H11NO2/c9-6-1-3-7(4-2-6)12-5-8(10)11;7-3-1-6-2-4-8-5-6/h1-4H,5H2,(H,10,11);7H,1-5H2

InChIKey

XJQIJANVRFEVNS-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)SCC(O)=O.C1[N@@](COC1)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.