Hydroxyethyl disulfide

C₄H₁₀O₂S₂CAS 1892-29-1154.24 g/mol

Open in Covalent MOL file

Alcohol Disulfide

Properties

Molecular formula: C₄H₁₀O₂S₂
Molar mass: 154.24 g/mol
Exact mass: 154.0122 Da
Density: 1.172 g/mL (at 25 °C)
Melting point: 25–26 °C
Boiling point: 106 °C (at 0.015 Torr)
logP: 0.35Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin37.4% of notifiers
H301 Toxic if swallowed88.8% of notifiers
H302 Harmful if swallowed11.2% of notifiers
H311 Toxic in contact with skin38.1% of notifiers
H317 May cause an allergic skin reaction38.1% of notifiers
H318 Causes serious eye damage16.5% of notifiers
H319 Causes serious eye irritation49.3% of notifiers
H411 Toxic to aquatic life with long lasting effects38.1% of notifiers

Aggregated from 278 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

Identifiers

CAS number

1892-29-1

SMILES

OCCSSCCO

InChIKey

KYNFOMQIXZUKRK-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

17 names · show all

Ethanol, 2,2′-dithiobis-
Ethanol, 2,2′-dithiodi-
2,2′-Dithiobis[ethanol]
Diethanol disulfide
2,2′-Dithiodiethanol
2-Hydroxyethyl disulfide
Bis(2-hydroxyethyl) disulfide
Dithiodiglycol
2-Hydroxyethane disulfide
3,4-Dithia-1,6-hexanediol
β-Hydroxyethyl disulfide
2-Mercaptoethanol disulfide
NSC 33920
Di(hydroxyethyl) disulfide
2,2′-Dihydroxyethyl disulfide
2,2′-Disulfanediyldiethanol
2-(2-Hydroxyethyldisulfanyl)ethanol

Work with Hydroxyethyl disulfide

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiodiglycol111-48-857 % similar 3,6-Dithia-1,8-octanediol5244-34-853 % similar Bis(2-hydroxyethylthio)methane44860-68-650 % similar 2-(Methylthio)ethanol5271-38-547 % similar 2-(Ethylthio)ethanol110-77-042 % similar Ethylene glycol107-21-142 % similar Polyethylene glycol25322-68-342 % similar 2-Mercaptoethanol60-24-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dithiothreitol16096-97-2 Dithiothreitol27565-41-9 Dithiothreitol3483-12-3 Dithioerythritol6892-68-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook