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

C10H8O2S — CID 15268021

IUPAC2-phenylsulfanyl-2H-furan-5-one
SMILESO=C1C=CC(Sc2ccccc2)O1
InChIInChI=1S/C10H8O2S/c11-9-6-7-10(12-9)13-8-4-2-1-3-5-8/h1-7,10H
InChIKeyDTQYIRNTQIVMHA-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.22
Rot. Bonds2

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

2-phenylsulfanyl-2H-furan-5-one (PubChem CID 15268021) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-phenylsulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name2-phenylsulfanyl-2H-furan-5-one
PubChem CID15268021
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name2-phenylsulfanyl-2H-furan-5-one
SMILESO=C1C=CC(Sc2ccccc2)O1
InChIInChI=1S/C10H8O2S/c11-9-6-7-10(12-9)13-8-4-2-1-3-5-8/h1-7,10H
InChIKeyDTQYIRNTQIVMHA-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 2-phenylsulfanyl-2H-furan-5-one?
The IUPAC name of 2-phenylsulfanyl-2H-furan-5-one (CID 15268021) is 2-phenylsulfanyl-2H-furan-5-one.
What is the SMILES notation for 2-phenylsulfanyl-2H-furan-5-one?
The canonical SMILES for 2-phenylsulfanyl-2H-furan-5-one is O=C1C=CC(Sc2ccccc2)O1.
What is the InChIKey of 2-phenylsulfanyl-2H-furan-5-one?
The InChIKey is DTQYIRNTQIVMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-9-6-7-10(12-9)13-8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of 2-phenylsulfanyl-2H-furan-5-one?
2-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 2-phenylsulfanyl-2H-furan-5-one is sourced from PubChem (CID 15268021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).