5-methylsulfanyloxolan-3-one

C5H8O2S — CID 152893344

IUPAC5-methylsulfanyloxolan-3-one
SMILESCSC1CC(=O)CO1
InChIInChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h5H,2-3H2,1H3
InChIKeyUDWGRJLUDMUWAQ-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.66
Rot. Bonds1

About 5-methylsulfanyloxolan-3-one

5-methylsulfanyloxolan-3-one (PubChem CID 152893344) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 5-methylsulfanyloxolan-3-one.

Molecular Properties

Compound Name5-methylsulfanyloxolan-3-one
PubChem CID152893344
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name5-methylsulfanyloxolan-3-one
SMILESCSC1CC(=O)CO1
InChIInChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h5H,2-3H2,1H3
InChIKeyUDWGRJLUDMUWAQ-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyloxolan-3-one?
The IUPAC name of 5-methylsulfanyloxolan-3-one (CID 152893344) is 5-methylsulfanyloxolan-3-one.
What is the SMILES notation for 5-methylsulfanyloxolan-3-one?
The canonical SMILES for 5-methylsulfanyloxolan-3-one is CSC1CC(=O)CO1.
What is the InChIKey of 5-methylsulfanyloxolan-3-one?
The InChIKey is UDWGRJLUDMUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h5H,2-3H2,1H3.
What are the key properties of 5-methylsulfanyloxolan-3-one?
5-methylsulfanyloxolan-3-one has a molecular weight of 132.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyloxolan-3-one is sourced from PubChem (CID 152893344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).