cyclohexylmethylsulfinylbenzene

C13H18OS — CID 12865196

IUPACcyclohexylmethylsulfinylbenzene
SMILESO=S(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2
InChIKeyVOGQEOQEURUBON-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.37
Rot. Bonds3

About cyclohexylmethylsulfinylbenzene

cyclohexylmethylsulfinylbenzene (PubChem CID 12865196) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is cyclohexylmethylsulfinylbenzene.

Molecular Properties

Compound Namecyclohexylmethylsulfinylbenzene
PubChem CID12865196
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Namecyclohexylmethylsulfinylbenzene
SMILESO=S(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H18OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2
InChIKeyVOGQEOQEURUBON-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylsulfinylbenzene?
The IUPAC name of cyclohexylmethylsulfinylbenzene (CID 12865196) is cyclohexylmethylsulfinylbenzene.
What is the SMILES notation for cyclohexylmethylsulfinylbenzene?
The canonical SMILES for cyclohexylmethylsulfinylbenzene is O=S(CC1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexylmethylsulfinylbenzene?
The InChIKey is VOGQEOQEURUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2.
What are the key properties of cyclohexylmethylsulfinylbenzene?
cyclohexylmethylsulfinylbenzene has a molecular weight of 222.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylsulfinylbenzene is sourced from PubChem (CID 12865196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).