Ethane-1,2-dithiol

C₂H₆S₂CAS 540-63-694.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₆S₂
Molar mass: 94.19 g/mol
Exact mass: 93.9911 Da
Density: 1.123 g/mL (at 23.5 °C)
Melting point: −41.2 °C
Boiling point: 146 °C
pKa: 8.96 (30 °C)
logP: 0.85Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor94.8% of notifiers
H301 Toxic if swallowed23.1% of notifiers
H302 Harmful if swallowed76.9% of notifiers
H310 Fatal in contact with skin14% of notifiers
H312 Harmful in contact with skin10.1% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H330 Fatal if inhaled16.6% of notifiers

Aggregated from 308 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P320, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

540-63-6

SMILES

SCCS

InChIKey

VYMPLPIFKRHAAC-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all

1,2-Ethanedithiol
Dithioethylene glycol
Ethylene dimercaptan
s-Ethylene dimercaptan
Ethylene glycol, dithio-
a-Ethylene dimercaptan
Dithioglycol
1,2-Dimercaptoethane
Ethylenedithiol
Ethylene dithioglycol
1,2-Ethylenedithiol
2-Mercaptoethanethiol
NSC 60481
1,2-Dithiolethane
EDT
1,2-Dithioethane
Ethan-1,2-dithiol

Reactions

ETHANEDITHIOL (1,2-Ethanedithiol)product

Work with Ethane-1,2-dithiol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propane-1,3-dithiol109-80-856 % similar 1,4-Butanedithiol1191-08-856 % similar 1,6-Hexanedithiol1191-43-150 % similar 1,8-Octanedithiol1191-62-450 % similar 1,10-Decanedithiol1191-67-950 % similar 1,9-Nonanedithiol3489-28-950 % similar 1,5-Pentanedithiol928-98-350 % similar Propanethiol107-03-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethyl disulfide624-92-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia