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Substance Name: 1,3-Dithiolane
RN: 4829-04-3
UNII: 341G58G6YL
InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C3-H6-S2

Molecular Weight

  • 106.212
 
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Names and Synonyms

Name of Substance

  • 1,3-Dithiolane

Synonyms

  • 1,3-Dithiacyclopentane
  • Dithiolane
  • NSC 193357
  • UNII-341G58G6YL

Systematic Name

  • 1,3-Dithiolane

Registry Numbers

CAS Registry Number

  • 4829-04-3

FDA UNII

  • 341G58G6YL

System Generated Number

  • 0004829043

Structure Descriptors

InChI

1S/C3H6S2/c1-2-5-3-4-1/h1-3H2

InChIKey

IMLSAISZLJGWPP-UHFFFAOYSA-N

Smiles

C1CSCS1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+01 deg C   EXP
Boiling Point 175 deg C   EXP
log P (octanol-water) 1.690 (none)   EST
Atmospheric OH Rate Constant 5.12E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.