2-(Methylthio)ethanol

C₃H₈OSCAS 5271-38-592.16 g/mol

Properties

Molecular formula: C₃H₈OS
Molar mass: 92.16 g/mol
Exact mass: 92.0296 Da
Density: 1.604 g/mL (at 20 °C)
Boiling point: 80.5–81 °C (at 30 Torr)
logP: 0.34Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Not classified as hazardous under GHS by 99 ECHA notifiers. Aggregated from 99 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

5271-38-5

SMILES

CSCCO

InChIKey

WBBPRCNXBQTYLF-UHFFFAOYSA-N

InChI

InChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all

Ethanol, 2-(methylthio)-
2-Hydroxyethyl methyl sulfide
2-Methylmercaptoethanol
Hydroxyethyl methyl sulfide
S-Methylmercaptoethanol
β-Methylmercaptoethanol
β-(Methylthio)ethanol
β-Hydroxyethyl methyl sulfide
Methyl 2-hydroxyethyl sulfide
2-Methanesulfanylethanol
2-(Methylsulfanyl)ethanol
NSC 1902
2-(Methylthio)ethyl alcohol
2-Methylsulfanyl-1-ethanol
2-(Methylthio)ethan-1-ol

Reactions

β-HYDROXYETHYL METHYL SULFIDE (Ethanol, 2-methylmercapto-)product

Work with 2-(Methylthio)ethanol

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

Methionol505-10-267 % similar Thiodiglycol111-48-847 % similar Hydroxyethyl disulfide1892-29-147 % similar 3,6-Dithia-1,8-octanediol5244-34-844 % similar 2-(Ethylthio)ethanol110-77-043 % similar Methyl propyl sulfide3877-15-442 % similar Bis(2-hydroxyethylthio)methane44860-68-642 % similar 2-Methylthioethylamine18542-42-240 % similar

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

Same formula

3-Mercapto-1-propanol19721-22-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook