3-methyl-4-methylsulfanyloxolane

C6H12OS — CID 59389594

IUPAC3-methyl-4-methylsulfanyloxolane
SMILESCSC1COCC1C
InChIInChI=1S/C6H12OS/c1-5-3-7-4-6(5)8-2/h5-6H,3-4H2,1-2H3
InChIKeySYOISXUYYGTSFJ-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.38
Rot. Bonds1

About 3-methyl-4-methylsulfanyloxolane

3-methyl-4-methylsulfanyloxolane (PubChem CID 59389594) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyloxolane.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyloxolane
PubChem CID59389594
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-methyl-4-methylsulfanyloxolane
SMILESCSC1COCC1C
InChIInChI=1S/C6H12OS/c1-5-3-7-4-6(5)8-2/h5-6H,3-4H2,1-2H3
InChIKeySYOISXUYYGTSFJ-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyloxolane?
The IUPAC name of 3-methyl-4-methylsulfanyloxolane (CID 59389594) is 3-methyl-4-methylsulfanyloxolane.
What is the SMILES notation for 3-methyl-4-methylsulfanyloxolane?
The canonical SMILES for 3-methyl-4-methylsulfanyloxolane is CSC1COCC1C.
What is the InChIKey of 3-methyl-4-methylsulfanyloxolane?
The InChIKey is SYOISXUYYGTSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-5-3-7-4-6(5)8-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanyloxolane?
3-methyl-4-methylsulfanyloxolane has a molecular weight of 132.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyloxolane is sourced from PubChem (CID 59389594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).