1-Chloro-3-methanesulfonyl-propane

C₄H₉ClO₂SCAS 54533-11-8156.62 g/mol

Open in Covalent MOL file

Alkyl halide Sulfone

Properties

Molecular formula: C₄H₉ClO₂S
Molar mass: 156.62 g/mol
Exact mass: 156.0012 Da
logP: 0.66Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

54533-11-8

SMILES

CS(=O)(=O)CCCCl

InChIKey

YMLUGIXGNODJEE-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Chloro-3-methanesulfonylpropane

Work with 1-Chloro-3-methanesulfonyl-propane

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

3-Chloropropanesulfonyl chloride1633-82-548 % similar 2-(Methylsulfonyl)ethanol15205-66-044 % similar 3-Chloro-propane-1-sulfonic acid tert-butylamide63132-85-442 % similar 2-(Methylsulfonyl)ethylamine hydrochloride104458-24-439 % similar 3-(Methylsulfonyl)propanoic acid645-83-037 % similar 1,4-Dichlorobutane110-56-535 % similar 1,3-Dichloropropane142-28-935 % similar 2-Chloroethanesulfonyl chloride1622-32-835 % similar

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

Same formula

Butanesulfonyl chloride2386-60-9 Isobutanesulfonyl chloride35432-36-1

Elsewhere

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