1-ethylsulfanyl-4-methylcyclohexane

C9H18S — CID 118564055

IUPAC1-ethylsulfanyl-4-methylcyclohexane
SMILESCCSC1CCC(C)CC1
InChIInChI=1S/C9H18S/c1-3-10-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyMWNBTXMSWDLTHU-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.32
Rot. Bonds2

About 1-ethylsulfanyl-4-methylcyclohexane

1-ethylsulfanyl-4-methylcyclohexane (PubChem CID 118564055) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-ethylsulfanyl-4-methylcyclohexane
PubChem CID118564055
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name1-ethylsulfanyl-4-methylcyclohexane
SMILESCCSC1CCC(C)CC1
InChIInChI=1S/C9H18S/c1-3-10-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3
InChIKeyMWNBTXMSWDLTHU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze 1-ethylsulfanyl-4-methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-methylcyclohexane?
The IUPAC name of 1-ethylsulfanyl-4-methylcyclohexane (CID 118564055) is 1-ethylsulfanyl-4-methylcyclohexane.
What is the SMILES notation for 1-ethylsulfanyl-4-methylcyclohexane?
The canonical SMILES for 1-ethylsulfanyl-4-methylcyclohexane is CCSC1CCC(C)CC1.
What is the InChIKey of 1-ethylsulfanyl-4-methylcyclohexane?
The InChIKey is MWNBTXMSWDLTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-3-10-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-4-methylcyclohexane?
1-ethylsulfanyl-4-methylcyclohexane has a molecular weight of 158.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-methylcyclohexane is sourced from PubChem (CID 118564055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).