Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-
RN: 100673-06-1
InChIKey: JNTDCBXKTLYCCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O2-S2

Molecular Weight

  • 262.352
 
* 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

  • 2-(1,3-Dithiol-2-ylidene)-1-phenyl-1,3-butanedione

Systematic Name

  • 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-phenyl-

Registry Numbers

CAS Registry Number

  • 100673-06-1

System Generated Number

  • 0100673061

Structure Descriptors

InChI

1S/C13H10O2S2/c1-9(14)11(13-16-7-8-17-13)12(15)10-5-3-2-4-6-10/h2-8H,1H3

InChIKey

JNTDCBXKTLYCCL-UHFFFAOYSA-N

Smiles

CC(=O)C(=C1SC=CS1)C(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4668799,