chempirical

Ethyl (chlorosulfonyl)acetate

C4H7ClO4SCAS 55896-93-0186.61 g/mol

Open in Covalent MOL file
OOSOOCl
Ester

Properties

Molecular formula
C4H7ClO4S
Molar mass
186.61 g/mol
Exact mass
185.9754 Da
logP
0.12Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55896-93-0
SMILES
CCOC(=O)CS(=O)(=O)Cl
InChIKey
DWCZKKQRUBQFIB-UHFFFAOYSA-N
InChI
InChI=1S/C4H7ClO4S/c1-2-9-4(6)3-10(5,7)8/h2-3H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Ethyl 2-(chlorosulfonyl)acetate

Work with Ethyl (chlorosulfonyl)acetate

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

Ethyl (methylsulfonyl)acetate4455-15-658 % similar Ethyl chloroacetate105-39-550 % similar Diethyl malonate105-53-350 % similar Diethyl succinate123-25-150 % similar Ethyl propionate105-37-348 % similar Diethyl glutarate818-38-248 % similar Ethyl phenylsulfonylacetate7605-30-347 % similar Ethyl 3-chloropropionate623-71-247 % similar

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

Elsewhere

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