[(E)-2-methylsulfonylethenyl]benzene

C9H10O2S — CID 5369327

IUPAC[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10O2S/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyRJQJJDKSNFBCFC-BQYQJAHWSA-N
MW182.24 g/mol
LogP1.70
Rot. Bonds2

About [(E)-2-methylsulfonylethenyl]benzene

[(E)-2-methylsulfonylethenyl]benzene (PubChem CID 5369327) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is [(E)-2-methylsulfonylethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-methylsulfonylethenyl]benzene
PubChem CID5369327
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C9H10O2S/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyRJQJJDKSNFBCFC-BQYQJAHWSA-N
XLogP1.70
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylsulfonylethenyl]benzene?
The IUPAC name of [(E)-2-methylsulfonylethenyl]benzene (CID 5369327) is [(E)-2-methylsulfonylethenyl]benzene.
What is the SMILES notation for [(E)-2-methylsulfonylethenyl]benzene?
The canonical SMILES for [(E)-2-methylsulfonylethenyl]benzene is CS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-methylsulfonylethenyl]benzene?
The InChIKey is RJQJJDKSNFBCFC-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10O2S/c1-12(10,11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+.
What are the key properties of [(E)-2-methylsulfonylethenyl]benzene?
[(E)-2-methylsulfonylethenyl]benzene has a molecular weight of 182.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylsulfonylethenyl]benzene is sourced from PubChem (CID 5369327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).