Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Butanethioic acid, S-(5-(((phenylamino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester
RN: 86910-86-3
InChIKey: SSCDKBYSSUMQQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N4-O-S3

Molecular Weight

  • 338.4786
 
* 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

  • S-(5-(((Phenylamino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)butanethioate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 86910-86-3

System Generated Number

  • 0086910863

Structure Descriptors

InChI

1S/C13H14N4OS3/c1-2-6-10(18)20-13-17-16-12(21-13)15-11(19)14-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,14,15,16,19)

InChIKey

SSCDKBYSSUMQQN-UHFFFAOYSA-N

Smiles

CCCC(=O)Sc1nnc(s1)NC(=S)Nc2ccccc2

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.