chempirical

Methyl chlorosulfate

CH3ClO3SCAS 812-01-1130.54 g/mol

Open in Covalent MOL file
OSOOCl

Properties

Molecular formula
CH3ClO3S
Molar mass
130.54 g/mol
Exact mass
129.9491 Da
Density
1.492 g/mL (at 15 °C)
Melting point
−70 °C
Boiling point
134 °C
logP
0.12Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
812-01-1
SMILES
COS(=O)(=O)Cl
InChIKey
KNVLCWQKYHCADB-UHFFFAOYSA-N
InChI
InChI=1S/CH3ClO3S/c1-5-6(2,3)4/h1H3

Weigh it out

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

Names and synonyms

4 names
  • Chlorosulfuric acid, methyl ester
  • Methyl chlorosulfonate
  • Chlorosulfonic acid, methyl ester
  • [(Chlorosulfonyl)oxy]methane

Work with Methyl chlorosulfate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disulfuryl chloride7791-27-750 % similar Ethyl chlorosulfate625-01-443 % similar Dimethyl sulfate77-78-142 % similar Chloromethyl chlorosulfate49715-04-039 % similar Methyl methanesulfonate66-27-338 % similar Methyl fluorosulfonate421-20-536 % similar Methyl ethanesulfonate1912-28-333 % similar Methyl trifluoromethanesulfonate333-27-732 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook