chempirical

Propanesulfonyl chloride

C3H7ClO2SCAS 10147-36-1142.60 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C3H7ClO2S
Molar mass
142.60 g/mol
Exact mass
141.9855 Da
Density
1.2728 g/mL (at 20 °C)
Melting point
−37 °C
Boiling point
76–78 °C (at 13 Torr)
logP
0.96Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
10147-36-1
SMILES
CCCS(=O)(=O)Cl
InChIKey
KPBSJEBFALFJTO-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Propanesulfonyl chloride
  • Propylsulfonyl chloride
  • n-Propanesulfonyl chloride
  • Propan-1-sulfonyl chloride

Work with Propanesulfonyl 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

Butanesulfonyl chloride2386-60-971 % similar 1-Hexadecanesulfonyl chloride38775-38-165 % similar 1-Octanesulfonyl chloride7795-95-165 % similar Ethanesulfonyl chloride594-44-552 % similar 2-Chloroethanesulfonyl chloride1622-32-850 % similar 1-Propanesulfonic acid5284-66-248 % similar Propyl sulfone598-03-848 % similar 3-Chloropropanesulfonyl chloride1633-82-546 % similar

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

Same formula

2-Propanesulfonyl chloride10147-37-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook