1-ethenylsulfonyl-3-methylbenzene

C9H10O2S — CID 62950196

IUPAC1-ethenylsulfonyl-3-methylbenzene
SMILESC=CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeySGMIFOKONPWISF-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.91
Rot. Bonds2

About 1-ethenylsulfonyl-3-methylbenzene

1-ethenylsulfonyl-3-methylbenzene (PubChem CID 62950196) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3-methylbenzene.

Molecular Properties

Compound Name1-ethenylsulfonyl-3-methylbenzene
PubChem CID62950196
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-ethenylsulfonyl-3-methylbenzene
SMILESC=CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChIKeySGMIFOKONPWISF-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3-methylbenzene?
The IUPAC name of 1-ethenylsulfonyl-3-methylbenzene (CID 62950196) is 1-ethenylsulfonyl-3-methylbenzene.
What is the SMILES notation for 1-ethenylsulfonyl-3-methylbenzene?
The canonical SMILES for 1-ethenylsulfonyl-3-methylbenzene is C=CS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 1-ethenylsulfonyl-3-methylbenzene?
The InChIKey is SGMIFOKONPWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-3-12(10,11)9-6-4-5-8(2)7-9/h3-7H,1H2,2H3.
What are the key properties of 1-ethenylsulfonyl-3-methylbenzene?
1-ethenylsulfonyl-3-methylbenzene has a molecular weight of 182.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3-methylbenzene is sourced from PubChem (CID 62950196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).