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Substance Name: 1,3-Dithiolane-4-methanol, 2,2-dimethyl-
RN: 5694-47-3
InChIKey: MPNNLCONPWKVOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H12-O-S2

Molecular Weight

  • 164.292
 
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Names and Synonyms

Synonyms

  • 2,2-Dimethyl-1,3-dithiolane-4-methanol
  • 2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane
  • 5-19-02-00379 (Beilstein Handbook Reference)
  • BRN 0104513

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 5694-47-3

System Generated Number

  • 0005694473

Structure Descriptors

InChI

1S/C6H12OS2/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3

InChIKey

MPNNLCONPWKVOX-UHFFFAOYSA-N

Smiles

S1[C@@H](CSC1(C)C)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.