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Substance Name: 1,3-Dithiolane, 2-phenyl-2-propyl-
RN: 5769-03-9
InChIKey: LJFGHNLBEOVXBW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-S2

Molecular Weight

  • 224.39
 
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Names and Synonyms

Synonyms

  • 2-Phenyl-2-propyl-1,3-dithiolane
  • 4-19-00-00243 (Beilstein Handbook Reference)
  • BRN 0147528

Systematic Name

  • 1,3-Dithiolane, 2-phenyl-2-propyl-

Registry Numbers

CAS Registry Number

  • 5769-03-9

System Generated Number

  • 0005769039

Structure Descriptors

InChI

1S/C12H16S2/c1-2-8-12(13-9-10-14-12)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3

InChIKey

LJFGHNLBEOVXBW-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(SCCS1)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.