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Substance Name: 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-
RN: 100059-87-8
InChIKey: ZPDBKZPLBNMXGB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-S2

Molecular Weight

  • 210.364
 
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Names and Synonyms

Synonyms

  • 2,4-Dimethyl-2-phenyl-1,3-dithiolane
  • 4-19-00-00236 (Beilstein Handbook Reference)
  • BRN 0083188

Systematic Name

  • 1,3-Dithiolane, 2,4-dimethyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 100059-87-8

System Generated Number

  • 0100059878

Structure Descriptors

InChI

1S/C11H14S2/c1-9-8-12-11(2,13-9)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

ZPDBKZPLBNMXGB-UHFFFAOYSA-N

Smiles

c1([C@@]2(S[C@@H](C)CS2)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.