3-ethylsulfanyl-2-methyloxolane

C7H14OS — CID 130991564

IUPAC3-ethylsulfanyl-2-methyloxolane
SMILESCCSC1CCOC1C
InChIInChI=1S/C7H14OS/c1-3-9-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3
InChIKeyIMEQDROAUUHXGC-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds2

About 3-ethylsulfanyl-2-methyloxolane

3-ethylsulfanyl-2-methyloxolane (PubChem CID 130991564) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-methyloxolane.

Molecular Properties

Compound Name3-ethylsulfanyl-2-methyloxolane
PubChem CID130991564
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-ethylsulfanyl-2-methyloxolane
SMILESCCSC1CCOC1C
InChIInChI=1S/C7H14OS/c1-3-9-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3
InChIKeyIMEQDROAUUHXGC-UHFFFAOYSA-N
XLogP1.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-methyloxolane?
The IUPAC name of 3-ethylsulfanyl-2-methyloxolane (CID 130991564) is 3-ethylsulfanyl-2-methyloxolane.
What is the SMILES notation for 3-ethylsulfanyl-2-methyloxolane?
The canonical SMILES for 3-ethylsulfanyl-2-methyloxolane is CCSC1CCOC1C.
What is the InChIKey of 3-ethylsulfanyl-2-methyloxolane?
The InChIKey is IMEQDROAUUHXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-9-7-4-5-8-6(7)2/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-2-methyloxolane?
3-ethylsulfanyl-2-methyloxolane has a molecular weight of 146.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-methyloxolane is sourced from PubChem (CID 130991564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).