4-phenylsulfanyloxolan-2-one

C10H10O2S — CID 12865623

IUPAC4-phenylsulfanyloxolan-2-one
SMILESO=C1CC(Sc2ccccc2)CO1
InChIInChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyRKNVHWSSVFDCIH-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.09
Rot. Bonds2

About 4-phenylsulfanyloxolan-2-one

4-phenylsulfanyloxolan-2-one (PubChem CID 12865623) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name4-phenylsulfanyloxolan-2-one
PubChem CID12865623
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name4-phenylsulfanyloxolan-2-one
SMILESO=C1CC(Sc2ccccc2)CO1
InChIInChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyRKNVHWSSVFDCIH-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyloxolan-2-one?
The IUPAC name of 4-phenylsulfanyloxolan-2-one (CID 12865623) is 4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for 4-phenylsulfanyloxolan-2-one?
The canonical SMILES for 4-phenylsulfanyloxolan-2-one is O=C1CC(Sc2ccccc2)CO1.
What is the InChIKey of 4-phenylsulfanyloxolan-2-one?
The InChIKey is RKNVHWSSVFDCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 4-phenylsulfanyloxolan-2-one?
4-phenylsulfanyloxolan-2-one has a molecular weight of 194.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 12865623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).