2-(Ethylsulfonyl)ethanol

C₄H₁₀O₃SCAS 513-12-2138.18 g/mol

Open in Covalent MOL file

Alcohol Sulfone

Properties

Molecular formula: C₄H₁₀O₃S
Molar mass: 138.18 g/mol
Exact mass: 138.0351 Da
Melting point: 46 °C
Boiling point: 153 °C
logP: -0.59Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

513-12-2

SMILES

CCS(=O)(=O)CCO

InChIKey

LJNDRJPZYNGSKZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3

Weigh it out

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

Names and synonyms

5 names

2-Hydroxyethyl ethyl sulfone
Ethanol, 2-(ethylsulfonyl)-
Ethylsulfonylethyl alcohol
NSC 60543
2-(Ethanesulfonyl)ethan-1-ol

Work with 2-(Ethylsulfonyl)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

Ethyl sulfone597-35-355 % similar 2-(Methylsulfonyl)ethanol15205-66-044 % similar Isethionic acid107-36-840 % similar 4-(2-Hydroxyethyl)thiomorpholine 1,1-dioxide26475-62-739 % similar Propyl sulfone598-03-838 % similar 4-(3-Hydroxypropyl)thiomorpholine 1,1-dioxide205194-33-837 % similar Ethanesulfonyl chloride594-44-536 % similar Ethanesulfonic acid594-45-636 % similar

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

Same formula

Butanesulfonic acid2386-47-2 Diethyl sulfite623-81-4 Isopropyl methanesulfonate926-06-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook