2-chlorosulfonylethyl acetate

C4H7ClO4S — CID 13139000

IUPAC2-chlorosulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-4(6)9-2-3-10(5,7)8/h2-3H2,1H3
InChIKeyMUWVJHSRIWOIJE-UHFFFAOYSA-N
MW186.62 g/mol
LogP0.12
Rot. Bonds3

About 2-chlorosulfonylethyl acetate

2-chlorosulfonylethyl acetate (PubChem CID 13139000) has the molecular formula C4H7ClO4S and a molecular weight of 186.62 g/mol. Its IUPAC name is 2-chlorosulfonylethyl acetate.

Molecular Properties

Compound Name2-chlorosulfonylethyl acetate
PubChem CID13139000
Molecular FormulaC4H7ClO4S
Molecular Weight186.62 g/mol
Exact Mass185.98
IUPAC Name2-chlorosulfonylethyl acetate
SMILESCC(=O)OCCS(=O)(=O)Cl
InChIInChI=1S/C4H7ClO4S/c1-4(6)9-2-3-10(5,7)8/h2-3H2,1H3
InChIKeyMUWVJHSRIWOIJE-UHFFFAOYSA-N
XLogP0.12
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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11-acetyloxyundecyl acetate
CID 87784419
2-(chlorosulfonylmethyl)prop-2-enyl acetate
CID 44623403
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
[(Z)-8-chlorooct-5-enyl] acetate
CID 163204813
2-(4-chlorosulfonylphenyl)ethyl acetate
CID 84710851

Frequently Asked Questions

What is the IUPAC name of 2-chlorosulfonylethyl acetate?
The IUPAC name of 2-chlorosulfonylethyl acetate (CID 13139000) is 2-chlorosulfonylethyl acetate.
What is the SMILES notation for 2-chlorosulfonylethyl acetate?
The canonical SMILES for 2-chlorosulfonylethyl acetate is CC(=O)OCCS(=O)(=O)Cl.
What is the InChIKey of 2-chlorosulfonylethyl acetate?
The InChIKey is MUWVJHSRIWOIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO4S/c1-4(6)9-2-3-10(5,7)8/h2-3H2,1H3.
What are the key properties of 2-chlorosulfonylethyl acetate?
2-chlorosulfonylethyl acetate has a molecular weight of 186.62 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorosulfonylethyl acetate is sourced from PubChem (CID 13139000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).