1-Chloro-3-methanesulfonyl-propane

C4H9ClO2SCAS 54533-11-8156.62 g/mol

Open in Covalent MOL file
SOOCl
Alkyl halideSulfone

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 name
  • 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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