chempirical

Ethanesulfonyl chloride

C2H5ClO2SCAS 594-44-5128.57 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C2H5ClO2S
Molar mass
128.57 g/mol
Exact mass
127.9699 Da
Density
1.351 g/mL (at 24 °C)
Boiling point
174 °C
logP
0.57Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
594-44-5
SMILES
CCS(=O)(=O)Cl
InChIKey
FRYHCSODNHYDPU-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3

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Names and synonyms

5 names
  • Ethylsulfonyl chloride
  • 1-Ethanesulfonyl chloride
  • Ethylsulfuryl chloride
  • NSC 8649
  • Chloroethylsulfone

Work with Ethanesulfonyl chloride

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

Propanesulfonyl chloride10147-36-152 % similar Butanesulfonyl chloride2386-60-948 % similar 1-Chloromethanesulfonyl chloride3518-65-845 % similar 1-Hexadecanesulfonyl chloride38775-38-144 % similar 1-Octanesulfonyl chloride7795-95-144 % similar Ethanesulfonic acid594-45-643 % similar Ethyl sulfone597-35-342 % similar 2-Chloroethanesulfonyl chloride1622-32-841 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook