cyclohexylsulfanylcyclohexane

C12H22S — CID 23523

IUPACcyclohexylsulfanylcyclohexane
SMILESC1CCC(SC2CCCCC2)CC1
InChIInChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyFTAORUVBXKFVDA-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.39
Rot. Bonds2

About cyclohexylsulfanylcyclohexane

cyclohexylsulfanylcyclohexane (PubChem CID 23523) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is cyclohexylsulfanylcyclohexane.

Molecular Properties

Compound Namecyclohexylsulfanylcyclohexane
PubChem CID23523
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Namecyclohexylsulfanylcyclohexane
SMILESC1CCC(SC2CCCCC2)CC1
InChIInChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyFTAORUVBXKFVDA-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanylcyclohexane?
The IUPAC name of cyclohexylsulfanylcyclohexane (CID 23523) is cyclohexylsulfanylcyclohexane.
What is the SMILES notation for cyclohexylsulfanylcyclohexane?
The canonical SMILES for cyclohexylsulfanylcyclohexane is C1CCC(SC2CCCCC2)CC1.
What is the InChIKey of cyclohexylsulfanylcyclohexane?
The InChIKey is FTAORUVBXKFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of cyclohexylsulfanylcyclohexane?
cyclohexylsulfanylcyclohexane has a molecular weight of 198.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanylcyclohexane is sourced from PubChem (CID 23523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).