chempirical

Bis(2-hydroxyethylthio)methane

C5H12O2S2CAS 44860-68-6168.27 g/mol

Open in Covalent MOL file
HOSSOH
AlcoholSulfide

Properties

Molecular formula
C5H12O2S2
Molar mass
168.27 g/mol
Exact mass
168.0279 Da
Boiling point
145 °C (at 0.02 Torr)
logP
0.39Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
44860-68-6
SMILES
OCCSCSCCO
InChIKey
GAECBAMNQFGJIM-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2S2/c6-1-3-8-5-9-4-2-7/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

9 names
  • Ethanol, 2,2′-[methylenebis(thio)]bis-
  • Ethanol, 2,2′-(methylenedithio)di-
  • 2,2′-[Methylenebis(thio)]bis[ethanol]
  • NSC 2875
  • NSC 409772
  • 1,1-Bis(2-hydroxyethylsulfanyl)methane
  • 3,5-Dithia-1,7-heptanediol
  • 2,2′-(Methylenebis(sulfanediyl))diethanol
  • 2-(2-Hydroxyethylsulfanylmethylsulfanyl)ethanol

Work with Bis(2-hydroxyethylthio)methane

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

Thiodiglycol111-48-871 % similar 3,6-Dithia-1,8-octanediol5244-34-867 % similar 2-(Ethylthio)ethanol110-77-053 % similar Hydroxyethyl disulfide1892-29-150 % similar 1,3-Dithiolane4829-04-350 % similar 1,3-Dithiane505-23-744 % similar 2-(Methylthio)ethanol5271-38-542 % similar 2-[(Phenylmethyl)thio]ethanol3878-41-940 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook