2-methylsulfanylethylcyclohexane

C9H18S — CID 14024904

IUPAC2-methylsulfanylethylcyclohexane
SMILESCSCCC1CCCCC1
InChIInChI=1S/C9H18S/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyIEGHWNMZMIZZPW-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.32
Rot. Bonds3

About 2-methylsulfanylethylcyclohexane

2-methylsulfanylethylcyclohexane (PubChem CID 14024904) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 2-methylsulfanylethylcyclohexane.

Molecular Properties

Compound Name2-methylsulfanylethylcyclohexane
PubChem CID14024904
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name2-methylsulfanylethylcyclohexane
SMILESCSCCC1CCCCC1
InChIInChI=1S/C9H18S/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyIEGHWNMZMIZZPW-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanylethylcyclopropane
CID 23403340
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 12017335
2-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine;hydrochloride
CID 22723059
2-ethylsulfanylethylcyclohexane
CID 89032228
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
CID 146200730
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666
propylcyclotetradecane
CID 90991550
methylsulfanylmethylcyclohexane;propane
CID 90890228
2-heptylsulfanylethylcyclohexane
CID 557257
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethylcyclohexane?
The IUPAC name of 2-methylsulfanylethylcyclohexane (CID 14024904) is 2-methylsulfanylethylcyclohexane.
What is the SMILES notation for 2-methylsulfanylethylcyclohexane?
The canonical SMILES for 2-methylsulfanylethylcyclohexane is CSCCC1CCCCC1.
What is the InChIKey of 2-methylsulfanylethylcyclohexane?
The InChIKey is IEGHWNMZMIZZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-10-8-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methylsulfanylethylcyclohexane?
2-methylsulfanylethylcyclohexane has a molecular weight of 158.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethylcyclohexane is sourced from PubChem (CID 14024904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).