1-cyclohexylsulfanyl-2-methylbenzene

C13H18S — CID 13011157

IUPAC1-cyclohexylsulfanyl-2-methylbenzene
SMILESCc1ccccc1SC1CCCCC1
InChIInChI=1S/C13H18S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
InChIKeyHUGDCJBFVLFFIJ-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.42
Rot. Bonds2

About 1-cyclohexylsulfanyl-2-methylbenzene

1-cyclohexylsulfanyl-2-methylbenzene (PubChem CID 13011157) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-2-methylbenzene.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-2-methylbenzene
PubChem CID13011157
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name1-cyclohexylsulfanyl-2-methylbenzene
SMILESCc1ccccc1SC1CCCCC1
InChIInChI=1S/C13H18S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
InChIKeyHUGDCJBFVLFFIJ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-2-methylbenzene?
The IUPAC name of 1-cyclohexylsulfanyl-2-methylbenzene (CID 13011157) is 1-cyclohexylsulfanyl-2-methylbenzene.
What is the SMILES notation for 1-cyclohexylsulfanyl-2-methylbenzene?
The canonical SMILES for 1-cyclohexylsulfanyl-2-methylbenzene is Cc1ccccc1SC1CCCCC1.
What is the InChIKey of 1-cyclohexylsulfanyl-2-methylbenzene?
The InChIKey is HUGDCJBFVLFFIJ-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/h5-7,10,12H,2-4,8-9H2,1H3.
What are the key properties of 1-cyclohexylsulfanyl-2-methylbenzene?
1-cyclohexylsulfanyl-2-methylbenzene has a molecular weight of 206.35 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-2-methylbenzene is sourced from PubChem (CID 13011157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).