2-ethyl-3-methylsulfanyloxolane

C7H14OS — CID 15720837

IUPAC2-ethyl-3-methylsulfanyloxolane
SMILESCCC1OCCC1SC
InChIInChI=1S/C7H14OS/c1-3-6-7(9-2)4-5-8-6/h6-7H,3-5H2,1-2H3
InChIKeyLTAPNACOXIHVGD-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.92
Rot. Bonds2

About 2-ethyl-3-methylsulfanyloxolane

2-ethyl-3-methylsulfanyloxolane (PubChem CID 15720837) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 2-ethyl-3-methylsulfanyloxolane.

Molecular Properties

Compound Name2-ethyl-3-methylsulfanyloxolane
PubChem CID15720837
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name2-ethyl-3-methylsulfanyloxolane
SMILESCCC1OCCC1SC
InChIInChI=1S/C7H14OS/c1-3-6-7(9-2)4-5-8-6/h6-7H,3-5H2,1-2H3
InChIKeyLTAPNACOXIHVGD-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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Related Compounds

2,5-Dimethyltetrahydrofuran-3-thiol
CID 20442793
5-Butyl-1,3-oxathiolane-2-thione
CID 20164713
2-Ethyloxolan-3-yl thiocyanate
CID 15720835
1,3-Oxathiolane, 2-pentyl-
CID 11147880
2-[(Methylsulfanyl)methyl]tetrahydrofuran
CID 11789247
2-(Methylsulfanylmethyl)oxane
CID 13022885
5-Propyl-1,3-oxathiolane
CID 21540543
3-Fluoro-2-methylsulfanyl-5-propyloxolane
CID 91578852
2-Ethyloxolane-3-thiol
CID 15720838
2-(Ethoxymethyl)thiolane
CID 57745305
2-(2,2,2-Trifluoro-1-methylsulfanylethyl)oxolane
CID 130683881
2-Butyl-1,3-oxathiolane
CID 529625

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylsulfanyloxolane?
The IUPAC name of 2-ethyl-3-methylsulfanyloxolane (CID 15720837) is 2-ethyl-3-methylsulfanyloxolane.
What is the SMILES notation for 2-ethyl-3-methylsulfanyloxolane?
The canonical SMILES for 2-ethyl-3-methylsulfanyloxolane is CCC1OCCC1SC.
What is the InChIKey of 2-ethyl-3-methylsulfanyloxolane?
The InChIKey is LTAPNACOXIHVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-6-7(9-2)4-5-8-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3-methylsulfanyloxolane?
2-ethyl-3-methylsulfanyloxolane 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 2-ethyl-3-methylsulfanyloxolane is sourced from PubChem (CID 15720837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).