1-chloro-2-ethylsulfonylethene

C4H7ClO2S — CID 57135482

IUPAC1-chloro-2-ethylsulfonylethene
SMILESCCS(=O)(=O)C=CCl
InChIInChI=1S/C4H7ClO2S/c1-2-8(6,7)4-3-5/h3-4H,2H2,1H3
InChIKeyQUABFGIQHFEMKD-UHFFFAOYSA-N
MW154.62 g/mol
LogP1.13
Rot. Bonds2

About 1-chloro-2-ethylsulfonylethene

1-chloro-2-ethylsulfonylethene (PubChem CID 57135482) has the molecular formula C4H7ClO2S and a molecular weight of 154.62 g/mol. Its IUPAC name is 1-chloro-2-ethylsulfonylethene.

Molecular Properties

Compound Name1-chloro-2-ethylsulfonylethene
PubChem CID57135482
Molecular FormulaC4H7ClO2S
Molecular Weight154.62 g/mol
Exact Mass153.99
IUPAC Name1-chloro-2-ethylsulfonylethene
SMILESCCS(=O)(=O)C=CCl
InChIInChI=1S/C4H7ClO2S/c1-2-8(6,7)4-3-5/h3-4H,2H2,1H3
InChIKeyQUABFGIQHFEMKD-UHFFFAOYSA-N
XLogP1.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.62
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylsulfonylethene?
The IUPAC name of 1-chloro-2-ethylsulfonylethene (CID 57135482) is 1-chloro-2-ethylsulfonylethene.
What is the SMILES notation for 1-chloro-2-ethylsulfonylethene?
The canonical SMILES for 1-chloro-2-ethylsulfonylethene is CCS(=O)(=O)C=CCl.
What is the InChIKey of 1-chloro-2-ethylsulfonylethene?
The InChIKey is QUABFGIQHFEMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO2S/c1-2-8(6,7)4-3-5/h3-4H,2H2,1H3.
What are the key properties of 1-chloro-2-ethylsulfonylethene?
1-chloro-2-ethylsulfonylethene has a molecular weight of 154.62 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylsulfonylethene is sourced from PubChem (CID 57135482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).