2-(Ethylthio)ethanol

C₄H₁₀OSCAS 110-77-0106.18 g/mol

Open in Covalent MOL file

Alcohol Sulfide

Properties

Molecular formula: C₄H₁₀OS
Molar mass: 106.18 g/mol
Exact mass: 106.0452 Da
Density: 1.0166 g/mL (at 20 °C)
Melting point: −100 °C
Boiling point: 184.5 °C
logP: 0.73Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage95.7% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

110-77-0

SMILES

CCSCCO

InChIKey

LNRIEBFNWGMXKP-UHFFFAOYSA-N

InChI

InChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Ethanol, 2-(ethylthio)-
Ethyl 2-hydroxyethyl sulfide
Ethyl 2-hydroxyethyl thioether
β-Hydroxydiethyl sulfide
2-Hydroxyethyl ethyl sulfide
Ethyl β-hydroxyethyl sulfide
β-Ethylthioethanol
2-Ethylmercaptoethanol
NSC 57105
2-(Ethylthio)-1-ethanol
3-Thia-1-pentanol
2-Ethylsulfanyl-ethanol
2-(Ethylsulfanyl)ethanol
2-(Ethylsulfanyl)ethan-1-ol

Work with 2-(Ethylthio)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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiodiglycol111-48-859 % similar 3,6-Dithia-1,8-octanediol5244-34-856 % similar Bis(2-hydroxyethylthio)methane44860-68-653 % similar 2-Chloroethyl ethyl sulfide693-07-252 % similar Ethyl propyl sulfide4110-50-350 % similar Diethyl sulfide352-93-247 % similar 2-(Ethylthio)ethylamine36489-03-945 % similar 2-(Methylthio)ethanol5271-38-543 % similar

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

Same formula

Rel-(2R,3S)-3-Mercapto-2-butanol37887-04-0 Methionol505-10-2 3-Mercapto-2-butanol54812-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook