methylsulfonylbenzene

C7H8O2S — CID 18369

IUPACmethylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJCDWETOKTFWTHA-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.09
Rot. Bonds1

About methylsulfonylbenzene

methylsulfonylbenzene (PubChem CID 18369) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is methylsulfonylbenzene.

Molecular Properties

Compound Namemethylsulfonylbenzene
PubChem CID18369
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Namemethylsulfonylbenzene
SMILESCS(=O)(=O)c1ccccc1
InChIInChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJCDWETOKTFWTHA-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonyl chloride
CID 7369
Diphenyl sulfone
CID 31386
Thioanisole
CID 7520
Benzenesulfonyl fluoride
CID 67779
Sodium benzenesulfonate
CID 517327
Methyl benzenesulfonate
CID 6630
Diphenyl sulfoxide
CID 13679
Fluoresone
CID 71814
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Phenylsulphonylacetonitrile
CID 82077
Acrylonitrile, 3-(phenylsulfonyl)-
CID 1711930
(2-Propen-1-ylsulfonyl)benzene
CID 85330

Frequently Asked Questions

What is the IUPAC name of methylsulfonylbenzene?
The IUPAC name of methylsulfonylbenzene (CID 18369) is methylsulfonylbenzene.
What is the SMILES notation for methylsulfonylbenzene?
The canonical SMILES for methylsulfonylbenzene is CS(=O)(=O)c1ccccc1.
What is the InChIKey of methylsulfonylbenzene?
The InChIKey is JCDWETOKTFWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methylsulfonylbenzene?
methylsulfonylbenzene has a molecular weight of 156.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylbenzene is sourced from PubChem (CID 18369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).