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Substance Name: Cyclohexanone, 2-(1,3-dithiolan-2-yl)-3-methyl-6-(1-methylethyl)-
RN: 60575-29-3
InChIKey: QUQGMSACORGXCP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-O-S2

Molecular Weight

  • 258.4478
 
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Names and Synonyms

Synonym

  • 2-(1,3-Dithiolan-2-yl)-3-methyl-6-(1-methylethyl)cyclohexanone

Systematic Name

  • Cyclohexanone, 2-(1,3-dithiolan-2-yl)-3-methyl-6-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 60575-29-3

System Generated Number

  • 0060575293

Structure Descriptors

InChI

1S/C13H22OS2/c1-8(2)10-5-4-9(3)11(12(10)14)13-15-6-7-16-13/h8-11,13H,4-7H2,1-3H3

InChIKey

QUQGMSACORGXCP-UHFFFAOYSA-N

Smiles

CC1CCC(C(=O)C1C2SCCS2)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 430mg/kg (430mg/kg)   Pharmacological Research Communications. Vol. 8, Pg. 435, 1976.