Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanethioic acid, S-(5-((((4-chlorophenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester
RN: 86911-00-4
InChIKey: UPAUZTBMQUNKDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl-N4-O-S3

Molecular Weight

  • 372.924
 
* 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

  • Butanethioic acid, S-(5-((((4-chlorophenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester

Registry Numbers

CAS Registry Number

  • 86911-00-4

System Generated Number

  • 0086911004

Structure Descriptors

InChI

1S/C13H13ClN4OS3/c1-2-3-10(19)21-13-18-17-12(22-13)16-11(20)15-9-6-4-8(14)5-7-9/h4-7H,2-3H2,1H3,(H2,15,16,17,20)

InChIKey

UPAUZTBMQUNKDT-UHFFFAOYSA-N

Smiles

c1(sc(SC(CCC)=O)nn1)NC(Nc1ccc(Cl)cc1)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmacological Research Communications. Vol. 15, Pg. 253, 1983.