1-cyclopentyl-4-methylsulfanylcyclohexane

C12H22S — CID 152799739

IUPAC1-cyclopentyl-4-methylsulfanylcyclohexane
SMILESCSC1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H22S/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10/h10-12H,2-9H2,1H3
InChIKeyAGYQVCDAMREEPT-UHFFFAOYSA-N
MW198.37 g/mol
LogP4.10
Rot. Bonds2

About 1-cyclopentyl-4-methylsulfanylcyclohexane

1-cyclopentyl-4-methylsulfanylcyclohexane (PubChem CID 152799739) has the molecular formula C12H22S and a molecular weight of 198.37 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-cyclopentyl-4-methylsulfanylcyclohexane
PubChem CID152799739
Molecular FormulaC12H22S
Molecular Weight198.37 g/mol
Exact Mass198.14
IUPAC Name1-cyclopentyl-4-methylsulfanylcyclohexane
SMILESCSC1CCC(C2CCCC2)CC1
InChIInChI=1S/C12H22S/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10/h10-12H,2-9H2,1H3
InChIKeyAGYQVCDAMREEPT-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylsulfanylcyclohexane?
The IUPAC name of 1-cyclopentyl-4-methylsulfanylcyclohexane (CID 152799739) is 1-cyclopentyl-4-methylsulfanylcyclohexane.
What is the SMILES notation for 1-cyclopentyl-4-methylsulfanylcyclohexane?
The canonical SMILES for 1-cyclopentyl-4-methylsulfanylcyclohexane is CSC1CCC(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-methylsulfanylcyclohexane?
The InChIKey is AGYQVCDAMREEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S/c1-13-12-8-6-11(7-9-12)10-4-2-3-5-10/h10-12H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-4-methylsulfanylcyclohexane?
1-cyclopentyl-4-methylsulfanylcyclohexane has a molecular weight of 198.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylsulfanylcyclohexane is sourced from PubChem (CID 152799739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).