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Substance Name: 1,3-Dithiolane, 4-bromomethyl-2-phenyl-
RN: 35128-29-1
InChIKey: VLCNHILPYWCOQE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-Br-S2

Molecular Weight

  • 275.233
 
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Names and Synonyms

Synonyms

  • 4-Bromomethyl-2-phenyl-1,3-dithiolane
  • 5-19-01-00468 (Beilstein Handbook Reference)
  • BRN 0156282

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 35128-29-1

System Generated Number

  • 0035128291

Structure Descriptors

InChI

1S/C10H11BrS2/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

InChIKey

VLCNHILPYWCOQE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.