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Substance Name: m-Dithiane, 2-methyl-2-phenyl-
RN: 6331-22-2
InChIKey: CAVORIBXCDTNBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-S2

Molecular Weight

  • 210.364
 
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Names and Synonyms

Synonyms

  • 1,3-Dithiane, 2-methyl-2-phenyl-
  • 2-Methyl-2-phenyl-m-dithiane
  • NSC 47056

Systematic Name

  • m-Dithiane, 2-methyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 6331-22-2

System Generated Number

  • 0006331222

Structure Descriptors

InChI

1S/C11H14S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3

InChIKey

CAVORIBXCDTNBO-UHFFFAOYSA-N

Smiles

C1(c2ccccc2)(SCCCS1)C

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. 19, Pg. 461, 1984.