2-ethyl-1-methylsulfanyl-4-propylcyclohexane

C12H24S — CID 22094141

IUPAC2-ethyl-1-methylsulfanyl-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(CC)C1
InChIInChI=1S/C12H24S/c1-4-6-10-7-8-12(13-3)11(5-2)9-10/h10-12H,4-9H2,1-3H3
InChIKeyGLCZXMHHWJFZPA-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.34
Rot. Bonds4

About 2-ethyl-1-methylsulfanyl-4-propylcyclohexane

2-ethyl-1-methylsulfanyl-4-propylcyclohexane (PubChem CID 22094141) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2-ethyl-1-methylsulfanyl-4-propylcyclohexane.

Molecular Properties

Compound Name2-ethyl-1-methylsulfanyl-4-propylcyclohexane
PubChem CID22094141
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2-ethyl-1-methylsulfanyl-4-propylcyclohexane
SMILESCCCC1CCC(SC)C(CC)C1
InChIInChI=1S/C12H24S/c1-4-6-10-7-8-12(13-3)11(5-2)9-10/h10-12H,4-9H2,1-3H3
InChIKeyGLCZXMHHWJFZPA-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methylsulfanyl-4-propylcyclohexane?
The IUPAC name of 2-ethyl-1-methylsulfanyl-4-propylcyclohexane (CID 22094141) is 2-ethyl-1-methylsulfanyl-4-propylcyclohexane.
What is the SMILES notation for 2-ethyl-1-methylsulfanyl-4-propylcyclohexane?
The canonical SMILES for 2-ethyl-1-methylsulfanyl-4-propylcyclohexane is CCCC1CCC(SC)C(CC)C1.
What is the InChIKey of 2-ethyl-1-methylsulfanyl-4-propylcyclohexane?
The InChIKey is GLCZXMHHWJFZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-4-6-10-7-8-12(13-3)11(5-2)9-10/h10-12H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-1-methylsulfanyl-4-propylcyclohexane?
2-ethyl-1-methylsulfanyl-4-propylcyclohexane has a molecular weight of 200.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methylsulfanyl-4-propylcyclohexane is sourced from PubChem (CID 22094141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).