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Substance Name: 1,3-Propanedithiol
RN: 109-80-8
UNII: R4LUJ82U52
InChIKey: ZJLMKPKYJBQJNH-UHFFFAOYSA-N

Molecular Formula

  • C3-H8-S2

Molecular Weight

  • 108.228
 
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Names and Synonyms

Name of Substance

  • 1,3-Propanedithiol

Synonyms

  • 1,3-Dimercaptopropane
  • 1,3-Propanedimercaptan
  • 1,3-Propanedithiol
  • 4-01-00-02503 (Beilstein Handbook Reference)
  • BRN 1071197
  • Dithiotrimethyleneglycol
  • EINECS 203-706-9
  • FEMA No. 3588
  • NDR-132
  • Trimethylene dimercaptan
  • Trimethylenedithioglycol
  • Trimethylenedithiol
  • UNII-R4LUJ82U52

Systematic Name

  • 1,3-Propanedithiol

Superlist Name

  • 1,3-Propanedithiol

Registry Numbers

CAS Registry Number

  • 109-80-8

FDA UNII

  • R4LUJ82U52

System Generated Number

  • 0000109808

Structure Descriptors

InChI

1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2

InChIKey

ZJLMKPKYJBQJNH-UHFFFAOYSA-N

Smiles

C(CS)CS

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 28mg/kg (28mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 87(Suppl), Pg. 6, 1946.
mouse LDLo oral 1070mg/kg (1070mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.90E+01 deg C   EXP
Boiling Point 172.9 deg C   EXP
log P (octanol-water) 1.700 (none)   EST
Atmospheric OH Rate Constant 8.43E-11 cm3/molecule-sec 25 EST

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