chempirical

Thiodiglycol

C4H10O2SCAS 111-48-8122.18 g/mol

Open in Covalent MOL file
HOSOH
AlcoholSulfide

Properties

Molecular formula
C4H10O2S
Molar mass
122.18 g/mol
Exact mass
122.0402 Da
Density
1.1819 g/mL (at 20 °C)
Melting point
−10.2 °C
Boiling point
282 °C
Water solubility
miscible (20 °C)
logP
-0.30Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
111-48-8
SMILES
OCCSCCO
InChIKey
YODZTKMDCQEPHD-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2

Weigh it out

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

Names and synonyms

24 names · show all
  • Ethanol, 2,2′-thiobis-
  • Ethanol, 2,2′-thiodi-
  • 2,2′-Thiobis[ethanol]
  • Bis(2-hydroxyethyl) sulfide
  • β,β′-Dihydroxydiethyl sulfide
  • β,β′-Dihydroxyethyl sulfide
  • Bis(β-hydroxyethyl) sulfide
  • Kromfax solvent
  • 2,2′-Thiodiethanol
  • Thiodiethylene glycol
  • β-Thiodiglycol
  • Di(2-hydroxyethyl) sulfide
  • Bis(2-hydroxyethyl) thioether
  • 2,2′-Thiodiglycol
  • Tedegyl
  • Diethanol sulfide
  • 3-Thiapentane-1,5-diol
  • 2,2′-Dihydroxydiethyl sulfide
  • NSC 6289
  • 1,5-Dihydroxy-3-thiapentane
  • 2-(2-Hydroxyethylthio)ethanol
  • Di(2-hydroxyethyl) thioether
  • Thiodiglycol HP
  • 2-[(2-Hydroxyethyl)sulfanyl]ethan-1-ol

Reactions

Work with Thiodiglycol

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

3,6-Dithia-1,8-octanediol5244-34-892 % similar Bis(2-hydroxyethylthio)methane44860-68-671 % similar 2-(Ethylthio)ethanol110-77-059 % similar Hydroxyethyl disulfide1892-29-157 % similar 2-(Thiomorpholin-4-yl)ethan-1-ol6007-64-347 % similar 2-(Methylthio)ethanol5271-38-547 % similar 2-[(Phenylmethyl)thio]ethanol3878-41-943 % similar Ethylene glycol107-21-142 % similar

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

Same formula

Ethyl sulfone597-35-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia