cyclohexylsulfinylbenzene

C12H16OS — CID 10867516

IUPACcyclohexylsulfinylbenzene
SMILESO=S(c1ccccc1)C1CCCCC1
InChIInChI=1S/C12H16OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyFTUDOLYJXJHTEN-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.13
Rot. Bonds2

About cyclohexylsulfinylbenzene

cyclohexylsulfinylbenzene (PubChem CID 10867516) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is cyclohexylsulfinylbenzene.

Molecular Properties

Compound Namecyclohexylsulfinylbenzene
PubChem CID10867516
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Namecyclohexylsulfinylbenzene
SMILESO=S(c1ccccc1)C1CCCCC1
InChIInChI=1S/C12H16OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKeyFTUDOLYJXJHTEN-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfinylbenzene?
The IUPAC name of cyclohexylsulfinylbenzene (CID 10867516) is cyclohexylsulfinylbenzene.
What is the SMILES notation for cyclohexylsulfinylbenzene?
The canonical SMILES for cyclohexylsulfinylbenzene is O=S(c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexylsulfinylbenzene?
The InChIKey is FTUDOLYJXJHTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2.
What are the key properties of cyclohexylsulfinylbenzene?
cyclohexylsulfinylbenzene has a molecular weight of 208.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfinylbenzene is sourced from PubChem (CID 10867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).