chempirical

2-Propanesulfonyl chloride

C3H7ClO2SCAS 10147-37-2142.60 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C3H7ClO2S
Molar mass
142.60 g/mol
Exact mass
141.9855 Da
Density
1.2645 g/mL (at 20 °C)
Melting point
−47 °C
Boiling point
71–73 °C (at 13 Torr)
logP
0.96Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
10147-37-2
SMILES
CC(C)S(=O)(=O)Cl
InChIKey
DRINJBFRTLBHNF-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3

Weigh it out

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Names and synonyms

8 names
  • Isopropanesulfonyl chloride
  • Isopropylsulfonyl chloride
  • 2-Propylsulfonyl chloride
  • i-Propanesulfonyl chloride
  • 1-Methylethylsulfonyl chloride
  • Isopropyl-2-sulfonyl chloride
  • Propan-2-ylsulfonyl chloride
  • Propan-2-sulfonyl chloride

Work with 2-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

N-(1-Methylethyl)sulfamoyl chloride26118-67-232 % similar

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

Same formula

Propanesulfonyl chloride10147-36-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook