(2-methylcyclohexyl)sulfanylbenzene

C13H18S — CID 13479841

IUPAC(2-methylcyclohexyl)sulfanylbenzene
SMILESCC1CCCCC1Sc1ccccc1
InChIInChI=1S/C13H18S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyQCDFFCSWUVIBMR-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.36
Rot. Bonds2

About (2-methylcyclohexyl)sulfanylbenzene

(2-methylcyclohexyl)sulfanylbenzene (PubChem CID 13479841) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is (2-methylcyclohexyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-methylcyclohexyl)sulfanylbenzene
PubChem CID13479841
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name(2-methylcyclohexyl)sulfanylbenzene
SMILESCC1CCCCC1Sc1ccccc1
InChIInChI=1S/C13H18S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChIKeyQCDFFCSWUVIBMR-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl)sulfanylbenzene?
The IUPAC name of (2-methylcyclohexyl)sulfanylbenzene (CID 13479841) is (2-methylcyclohexyl)sulfanylbenzene.
What is the SMILES notation for (2-methylcyclohexyl)sulfanylbenzene?
The canonical SMILES for (2-methylcyclohexyl)sulfanylbenzene is CC1CCCCC1Sc1ccccc1.
What is the InChIKey of (2-methylcyclohexyl)sulfanylbenzene?
The InChIKey is QCDFFCSWUVIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3.
What are the key properties of (2-methylcyclohexyl)sulfanylbenzene?
(2-methylcyclohexyl)sulfanylbenzene has a molecular weight of 206.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl)sulfanylbenzene is sourced from PubChem (CID 13479841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).