5-methyl-2-phenylsulfanyloxolan-3-one

C11H12O2S — CID 24975237

IUPAC5-methyl-2-phenylsulfanyloxolan-3-one
SMILESCC1CC(=O)C(Sc2ccccc2)O1
InChIInChI=1S/C11H12O2S/c1-8-7-10(12)11(13-8)14-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyIANCTICFMDICKN-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.48
Rot. Bonds2

About 5-methyl-2-phenylsulfanyloxolan-3-one

5-methyl-2-phenylsulfanyloxolan-3-one (PubChem CID 24975237) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-methyl-2-phenylsulfanyloxolan-3-one.

Molecular Properties

Compound Name5-methyl-2-phenylsulfanyloxolan-3-one
PubChem CID24975237
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name5-methyl-2-phenylsulfanyloxolan-3-one
SMILESCC1CC(=O)C(Sc2ccccc2)O1
InChIInChI=1S/C11H12O2S/c1-8-7-10(12)11(13-8)14-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3
InChIKeyIANCTICFMDICKN-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenylsulfanyloxolan-3-one?
The IUPAC name of 5-methyl-2-phenylsulfanyloxolan-3-one (CID 24975237) is 5-methyl-2-phenylsulfanyloxolan-3-one.
What is the SMILES notation for 5-methyl-2-phenylsulfanyloxolan-3-one?
The canonical SMILES for 5-methyl-2-phenylsulfanyloxolan-3-one is CC1CC(=O)C(Sc2ccccc2)O1.
What is the InChIKey of 5-methyl-2-phenylsulfanyloxolan-3-one?
The InChIKey is IANCTICFMDICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8-7-10(12)11(13-8)14-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3.
What are the key properties of 5-methyl-2-phenylsulfanyloxolan-3-one?
5-methyl-2-phenylsulfanyloxolan-3-one has a molecular weight of 208.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenylsulfanyloxolan-3-one is sourced from PubChem (CID 24975237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).