chempirical

Ethyl chlorothioformate

C3H5ClOSCAS 2941-64-2124.58 g/mol

Open in Covalent MOL file
SOCl
Acyl halideSulfide

Properties

Molecular formula
C3H5ClOS
Molar mass
124.58 g/mol
Exact mass
123.9750 Da
Density
1.84 g/mL
Boiling point
136 °C
logP
2.10Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2941-64-2
SMILES
CCSC(=O)Cl
InChIKey
QCMHWZUFWLOOGI-UHFFFAOYSA-N
InChI
InChI=1S/C3H5ClOS/c1-2-6-3(4)5/h2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Carbonochloridothioic acid, S-ethyl ester
  • Formic acid, chlorothio-, S-ethyl ester
  • S-Ethyl chlorothioformate
  • Ethylthiol chloroformate
  • S-Ethyl thiochloroformate
  • Ethyl thiochloroformate
  • S-Ethyl carbonochloridothioate
  • S-Ethyl chlorothiocarbonate
  • Thioethoxycarbonyl chloride
  • Ethylthiocarbonyl chloride

Work with Ethyl chlorothioformate

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

S-Ethyl thioacetate625-60-548 % similar S-Ethyl propanethioate2432-42-046 % similar S-Ethyl trifluorothioacetate383-64-241 % similar Molinate2212-67-138 % similar S-Ethyl dipropylthiocarbamate759-94-438 % similar (Chlorocarbonyl)sulfenyl chloride2757-23-536 % similar Butylate2008-41-535 % similar Ethyl methyl sulfide624-89-533 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook