1-cyclohexyl-4-(methylsulfanylmethyl)benzene

C14H20S — CID 59166778

IUPAC1-cyclohexyl-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H20S/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyLOOFLOYQWJVSIE-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.60
Rot. Bonds3

About 1-cyclohexyl-4-(methylsulfanylmethyl)benzene

1-cyclohexyl-4-(methylsulfanylmethyl)benzene (PubChem CID 59166778) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-cyclohexyl-4-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(methylsulfanylmethyl)benzene
PubChem CID59166778
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name1-cyclohexyl-4-(methylsulfanylmethyl)benzene
SMILESCSCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H20S/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3
InChIKeyLOOFLOYQWJVSIE-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(methylsulfanylmethyl)benzene?
The IUPAC name of 1-cyclohexyl-4-(methylsulfanylmethyl)benzene (CID 59166778) is 1-cyclohexyl-4-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-(methylsulfanylmethyl)benzene is CSCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(methylsulfanylmethyl)benzene?
The InChIKey is LOOFLOYQWJVSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-15-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3.
What are the key properties of 1-cyclohexyl-4-(methylsulfanylmethyl)benzene?
1-cyclohexyl-4-(methylsulfanylmethyl)benzene has a molecular weight of 220.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 59166778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).