2-methylsulfanylethenylcyclohexane

C9H16S — CID 134874014

IUPAC2-methylsulfanylethenylcyclohexane
SMILESCSC=CC1CCCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyQMDBOJRRXVSCMN-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds2

About 2-methylsulfanylethenylcyclohexane

2-methylsulfanylethenylcyclohexane (PubChem CID 134874014) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-methylsulfanylethenylcyclohexane.

Molecular Properties

Compound Name2-methylsulfanylethenylcyclohexane
PubChem CID134874014
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-methylsulfanylethenylcyclohexane
SMILESCSC=CC1CCCCC1
InChIInChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
InChIKeyQMDBOJRRXVSCMN-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethenylcyclohexane?
The IUPAC name of 2-methylsulfanylethenylcyclohexane (CID 134874014) is 2-methylsulfanylethenylcyclohexane.
What is the SMILES notation for 2-methylsulfanylethenylcyclohexane?
The canonical SMILES for 2-methylsulfanylethenylcyclohexane is CSC=CC1CCCCC1.
What is the InChIKey of 2-methylsulfanylethenylcyclohexane?
The InChIKey is QMDBOJRRXVSCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-10-8-7-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-methylsulfanylethenylcyclohexane?
2-methylsulfanylethenylcyclohexane has a molecular weight of 156.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethenylcyclohexane is sourced from PubChem (CID 134874014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).