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Substance Name: 4,6-Nonanedione, 2,8-dimethyl-5-(1,3-dithiol-2-ylidene)-
RN: 100673-02-7
InChIKey: WVLQENWQBFGOMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-O2-S2

Molecular Weight

  • 284.442
 
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Names and Synonyms

Synonyms

  • 2,8-Dimethyl-5-(1,3-dithiol-2-ylidene)-4,6-nonanedione
  • 5-(1,3-Dithiol-2-ylidene)-2,8-dimethyl-4,6-nonanedione

Systematic Name

  • 4,6-Nonanedione, 2,8-dimethyl-5-(1,3-dithiol-2-ylidene)-

Registry Numbers

CAS Registry Number

  • 100673-02-7

System Generated Number

  • 0100673027

Structure Descriptors

InChI

1S/C14H20O2S2/c1-9(2)7-11(15)13(12(16)8-10(3)4)14-17-5-6-18-14/h5-6,9-10H,7-8H2,1-4H3

InChIKey

WVLQENWQBFGOMF-UHFFFAOYSA-N

Smiles

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