5-methyl-4-methylsulfanyloxolan-2-one

C6H10O2S — CID 118642366

IUPAC5-methyl-4-methylsulfanyloxolan-2-one
SMILESCSC1CC(=O)OC1C
InChIInChI=1S/C6H10O2S/c1-4-5(9-2)3-6(7)8-4/h4-5H,3H2,1-2H3
InChIKeyVQLSGDXZADTYCS-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds1

About 5-methyl-4-methylsulfanyloxolan-2-one

5-methyl-4-methylsulfanyloxolan-2-one (PubChem CID 118642366) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyloxolan-2-one.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyloxolan-2-one
PubChem CID118642366
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name5-methyl-4-methylsulfanyloxolan-2-one
SMILESCSC1CC(=O)OC1C
InChIInChI=1S/C6H10O2S/c1-4-5(9-2)3-6(7)8-4/h4-5H,3H2,1-2H3
InChIKeyVQLSGDXZADTYCS-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyloxolan-2-one?
The IUPAC name of 5-methyl-4-methylsulfanyloxolan-2-one (CID 118642366) is 5-methyl-4-methylsulfanyloxolan-2-one.
What is the SMILES notation for 5-methyl-4-methylsulfanyloxolan-2-one?
The canonical SMILES for 5-methyl-4-methylsulfanyloxolan-2-one is CSC1CC(=O)OC1C.
What is the InChIKey of 5-methyl-4-methylsulfanyloxolan-2-one?
The InChIKey is VQLSGDXZADTYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-5(9-2)3-6(7)8-4/h4-5H,3H2,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanyloxolan-2-one?
5-methyl-4-methylsulfanyloxolan-2-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyloxolan-2-one is sourced from PubChem (CID 118642366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).