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Substance Name: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methylphenyl)-
RN: 100673-14-1
InChIKey: DJOBQEXRPVBJNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-O2-S2

Molecular Weight

  • 276.3788
 
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Names and Synonyms

Synonym

  • 2-(1,3-Dithiol-2-ylidene)-1-(4-methylphenyl)-1,3-butanedione

Systematic Name

  • 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 100673-14-1

System Generated Number

  • 0100673141

Structure Descriptors

InChI

1S/C14H12O2S2/c1-9-3-5-11(6-4-9)13(16)12(10(2)15)14-17-7-8-18-14/h3-8H,1-2H3

InChIKey

DJOBQEXRPVBJNA-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)C(=C2SC=CS2)C(=O)C

Toxicity

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