(2-methylsulfonylcyclopropyl)benzene

C10H12O2S — CID 89149052

IUPAC(2-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C10H12O2S/c1-13(11,12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeySXWUALCEEHNRGU-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.59
Rot. Bonds2

About (2-methylsulfonylcyclopropyl)benzene

(2-methylsulfonylcyclopropyl)benzene (PubChem CID 89149052) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (2-methylsulfonylcyclopropyl)benzene.

Molecular Properties

Compound Name(2-methylsulfonylcyclopropyl)benzene
PubChem CID89149052
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(2-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1CC1c1ccccc1
InChIInChI=1S/C10H12O2S/c1-13(11,12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeySXWUALCEEHNRGU-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfonylcyclopropyl)benzene?
The IUPAC name of (2-methylsulfonylcyclopropyl)benzene (CID 89149052) is (2-methylsulfonylcyclopropyl)benzene.
What is the SMILES notation for (2-methylsulfonylcyclopropyl)benzene?
The canonical SMILES for (2-methylsulfonylcyclopropyl)benzene is CS(=O)(=O)C1CC1c1ccccc1.
What is the InChIKey of (2-methylsulfonylcyclopropyl)benzene?
The InChIKey is SXWUALCEEHNRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-13(11,12)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of (2-methylsulfonylcyclopropyl)benzene?
(2-methylsulfonylcyclopropyl)benzene has a molecular weight of 196.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfonylcyclopropyl)benzene is sourced from PubChem (CID 89149052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).