chempirical

3-Chloropropanesulfonyl chloride

C3H6Cl2O2SCAS 1633-82-5177.04 g/mol

Open in Covalent MOL file
OSOClCl
Alkyl halide

Properties

Molecular formula
C3H6Cl2O2S
Molar mass
177.04 g/mol
Exact mass
175.9466 Da
Boiling point
82–85 °C (at 1 Torr)
logP
1.18Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1633-82-5
SMILES
O=S(=O)(Cl)CCCCl
InChIKey
GPKDGVXBXQTHRY-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2

Weigh it out

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

Names and synonyms

9 names
  • 1-Propanesulfonyl chloride, 3-chloro-
  • 3-Chloro-1-propanesulfonyl chloride
  • γ-Chloropropanesulfonyl chloride
  • 3-Chloropropylsulfonyl chloride
  • 1-Chloro-3-propanesulfonyl chloride
  • 3-Chloropropansulfonyl chloride
  • NSC 93777
  • 3-Chloropropane-1-sulfonyl chloride
  • 3-Chloro-n-propanesulfonyl chloride

Work with 3-Chloropropanesulfonyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloroethanesulfonyl chloride1622-32-870 % similar Butanesulfonyl chloride2386-60-954 % similar 1-Hexadecanesulfonyl chloride38775-38-150 % similar 1-Octanesulfonyl chloride7795-95-150 % similar Propanesulfonyl chloride10147-36-146 % similar 1-Chloromethanesulfonyl chloride3518-65-845 % similar Ethanesulfonyl chloride594-44-538 % similar 1,4-Dichlorobutane110-56-537 % similar

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

Elsewhere

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