2-ethylsulfanyl-4-methyloxane

C8H16OS — CID 123504399

IUPAC2-ethylsulfanyl-4-methyloxane
SMILESCCSC1CC(C)CCO1
InChIInChI=1S/C8H16OS/c1-3-10-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyOKLOEVAIICMCGX-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.51
Rot. Bonds2

About 2-ethylsulfanyl-4-methyloxane

2-ethylsulfanyl-4-methyloxane (PubChem CID 123504399) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyloxane.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyloxane
PubChem CID123504399
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-ethylsulfanyl-4-methyloxane
SMILESCCSC1CC(C)CCO1
InChIInChI=1S/C8H16OS/c1-3-10-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyOKLOEVAIICMCGX-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyloxane?
The IUPAC name of 2-ethylsulfanyl-4-methyloxane (CID 123504399) is 2-ethylsulfanyl-4-methyloxane.
What is the SMILES notation for 2-ethylsulfanyl-4-methyloxane?
The canonical SMILES for 2-ethylsulfanyl-4-methyloxane is CCSC1CC(C)CCO1.
What is the InChIKey of 2-ethylsulfanyl-4-methyloxane?
The InChIKey is OKLOEVAIICMCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-10-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-4-methyloxane?
2-ethylsulfanyl-4-methyloxane has a molecular weight of 160.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyloxane is sourced from PubChem (CID 123504399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).