3-phenylsulfanyl-2H-furan-5-one

C10H8O2S — CID 10997856

IUPAC3-phenylsulfanyl-2H-furan-5-one
SMILESO=C1C=C(Sc2ccccc2)CO1
InChIInChI=1S/C10H8O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyCQRLKSIDKBTDRC-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.22
Rot. Bonds2

About 3-phenylsulfanyl-2H-furan-5-one

3-phenylsulfanyl-2H-furan-5-one (PubChem CID 10997856) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name3-phenylsulfanyl-2H-furan-5-one
PubChem CID10997856
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name3-phenylsulfanyl-2H-furan-5-one
SMILESO=C1C=C(Sc2ccccc2)CO1
InChIInChI=1S/C10H8O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyCQRLKSIDKBTDRC-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 3-phenylsulfanyl-2H-furan-5-one (CID 10997856) is 3-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 3-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 3-phenylsulfanyl-2H-furan-5-one is O=C1C=C(Sc2ccccc2)CO1.
What is the InChIKey of 3-phenylsulfanyl-2H-furan-5-one?
The InChIKey is CQRLKSIDKBTDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-10-6-9(7-12-10)13-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 3-phenylsulfanyl-2H-furan-5-one?
3-phenylsulfanyl-2H-furan-5-one has a molecular weight of 192.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 10997856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).