(Z)-1-chloro-2-methylsulfonylethene

C3H5ClO2S — CID 5365484

IUPAC(Z)-1-chloro-2-methylsulfonylethene
SMILESCS(=O)(=O)/C=C\Cl
InChIInChI=1S/C3H5ClO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2-
InChIKeyYYPFNMXWKWZKSS-IHWYPQMZSA-N
MW140.59 g/mol
LogP0.74
Rot. Bonds1

About (Z)-1-chloro-2-methylsulfonylethene

(Z)-1-chloro-2-methylsulfonylethene (PubChem CID 5365484) has the molecular formula C3H5ClO2S and a molecular weight of 140.59 g/mol. Its IUPAC name is (Z)-1-chloro-2-methylsulfonylethene.

Molecular Properties

Compound Name(Z)-1-chloro-2-methylsulfonylethene
PubChem CID5365484
Molecular FormulaC3H5ClO2S
Molecular Weight140.59 g/mol
Exact Mass139.97
IUPAC Name(Z)-1-chloro-2-methylsulfonylethene
SMILESCS(=O)(=O)/C=C\Cl
InChIInChI=1S/C3H5ClO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2-
InChIKeyYYPFNMXWKWZKSS-IHWYPQMZSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.59
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-2-methylsulfonylethene?
The IUPAC name of (Z)-1-chloro-2-methylsulfonylethene (CID 5365484) is (Z)-1-chloro-2-methylsulfonylethene.
What is the SMILES notation for (Z)-1-chloro-2-methylsulfonylethene?
The canonical SMILES for (Z)-1-chloro-2-methylsulfonylethene is CS(=O)(=O)/C=C\Cl.
What is the InChIKey of (Z)-1-chloro-2-methylsulfonylethene?
The InChIKey is YYPFNMXWKWZKSS-IHWYPQMZSA-N. The full InChI is InChI=1S/C3H5ClO2S/c1-7(5,6)3-2-4/h2-3H,1H3/b3-2-.
What are the key properties of (Z)-1-chloro-2-methylsulfonylethene?
(Z)-1-chloro-2-methylsulfonylethene has a molecular weight of 140.59 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-2-methylsulfonylethene is sourced from PubChem (CID 5365484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).