Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-
RN: 91086-38-3
InChIKey: YYQURCVWSDVBFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-N2-O2-S

Molecular Weight

  • 218.3192
 
* 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-Methyl-2-((1-piperazinylmethyl)thio)propionic acid
  • 5-23-01-00041 (Beilstein Handbook Reference)
  • BRN 0744793
  • Sch 1002

Systematic Name

  • Propionic acid, 2-methyl-2-((1-piperazinylmethyl)thio)-

Registry Numbers

CAS Registry Number

  • 91086-38-3

System Generated Number

  • 0091086383

Structure Descriptors

InChI

1S/C9H18N2O2S/c1-9(2,8(12)13)14-7-11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H,12,13)

InChIKey

YYQURCVWSDVBFH-UHFFFAOYSA-N

Smiles

CC(C)(C(=O)O)SCN1CCNCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 980mg/kg (980mg/kg)   Bollettino Chimico Farmaceutico. Vol. 103, Pg. 414, 1964.