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Substance Name: 1,3-Dithiolane, 4-methyl-2-phenethyl-
RN: 102107-33-5
InChIKey: WOJVVVZQUUZHPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-S2

Molecular Weight

  • 224.39
 
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Names and Synonyms

Synonyms

  • 4-Methyl-2-phenethyl-1,3-dithiolane
  • BRN 5503455

Systematic Name

  • 1,3-Dithiolane, 4-methyl-2-phenethyl-

Registry Numbers

CAS Registry Number

  • 102107-33-5

System Generated Number

  • 0102107335

Structure Descriptors

InChI

1S/C12H16S2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3

InChIKey

WOJVVVZQUUZHPN-UHFFFAOYSA-N

Smiles

C([C@@H]1SC[C@@H](S1)C)Cc1ccccc1

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.