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Substance Name: 1,2-Ethanedithiol
RN: 540-63-6
UNII: 92T634FLAR
InChIKey: VYMPLPIFKRHAAC-UHFFFAOYSA-N

Molecular Formula

  • C2-H6-S2

Molecular Weight

  • 94.2014
 
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Names and Synonyms

Name of Substance

  • 1,2-Ethanedithiol

Synonyms

  • 1,2-Dimercaptoethane
  • 1,2-Dithiol ethane
  • 1,2-Ethanedithiol
  • 1,2-Ethanethiol
  • 4-01-00-02450 (Beilstein Handbook Reference)
  • AI3-28942
  • BRN 0505946
  • Dithioethyleneglycol
  • Dithioglycol
  • EINECS 208-752-3
  • Ethyl hydropersulfide
  • Ethylene dimercaptan
  • Ethylene dithioglycol
  • Ethylene glycol, dithio-
  • Ethylene mercaptan
  • Ethylenedimercaptan
  • Ethylenedithiol
  • FEMA No. 3484
  • HSDB 2828
  • NSC 60481
  • S-Ethylene dimercaptan
  • UNII-92T634FLAR

Systematic Name

  • 1,2-Ethanedithiol

Superlist Name

  • 1,2-Ethanedithiol

Registry Numbers

CAS Registry Number

  • 540-63-6

FDA UNII

  • 92T634FLAR

System Generated Number

  • 0000540636

Structure Descriptors

InChI

InChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2

InChIKey

VYMPLPIFKRHAAC-UHFFFAOYSA-N

Smiles

SCCS

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.
mouse LD50 intravenous 56200ug/kg (56.2mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02101,
mouse LD50 oral 342mg/kg (342mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.12E+01 deg C   EXP
Boiling Point 146 deg C   EXP
pKa Dissociation Constant 8.96 (none) 30 EXP
log P (octanol-water) 1.210 (none)   EST
Water Solubility 1.12E+04 mg/L 25 EST
Vapor Pressure 5.61 mm Hg 25 EXP
Henry's Law Constant 1.23E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.29E-11 cm3/molecule-sec 25 EST

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