Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Oxazole, 4,5-dihydro-2-(((3-bromophenyl)methyl)thio)-4,4-dimethyl-, hydrochloride
RN: 100098-72-4
InChIKey: AYYJDOJHFBBVKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-Br-N-O-S.Cl-H

Molecular Weight

  • 336.6795
 
* 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

Synonyms

  • 2-(3-Bromobenzylthio)-4,4-dimethyl-2-oxazoline hydrochloride
  • 4,5-Dihydro-2-(((3-bromophenyl)methyl)thio)-4,4-dimethyloxazole hydrochloride

Systematic Name

  • Oxazole, 4,5-dihydro-2-(((3-bromophenyl)methyl)thio)-4,4-dimethyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100098-72-4

System Generated Number

  • 0100098724

Molecular Formulas

Molecular Formula

  • C12-H14-Br-N-O-S.Cl-H

Molecular Formula Fragments

  • C12-H14-Br-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H14BrNOS.ClH/c1-12(2)8-15-11(14-12)16-7-9-4-3-5-10(13)6-9;/h3-6H,7-8H2,1-2H3;1H

InChIKey

AYYJDOJHFBBVKK-UHFFFAOYSA-N

Smiles

CC1(COC(=N1)SCc2cccc(c2)Br)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 443, 1985.