3-phenylsulfanyl-3H-2-benzofuran-1-one

C14H10O2S — CID 2752811

IUPAC3-phenylsulfanyl-3H-2-benzofuran-1-one
SMILESO=C1OC(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O2S/c15-13-11-8-4-5-9-12(11)14(16-13)17-10-6-2-1-3-7-10/h1-9,14H
InChIKeyZKXIHMKLOSZLPO-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.65
Rot. Bonds2

About 3-phenylsulfanyl-3H-2-benzofuran-1-one

3-phenylsulfanyl-3H-2-benzofuran-1-one (PubChem CID 2752811) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-phenylsulfanyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-phenylsulfanyl-3H-2-benzofuran-1-one
PubChem CID2752811
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name3-phenylsulfanyl-3H-2-benzofuran-1-one
SMILESO=C1OC(Sc2ccccc2)c2ccccc21
InChIInChI=1S/C14H10O2S/c15-13-11-8-4-5-9-12(11)14(16-13)17-10-6-2-1-3-7-10/h1-9,14H
InChIKeyZKXIHMKLOSZLPO-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-3H-2-benzofuran-1-one?
The IUPAC name of 3-phenylsulfanyl-3H-2-benzofuran-1-one (CID 2752811) is 3-phenylsulfanyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-phenylsulfanyl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-phenylsulfanyl-3H-2-benzofuran-1-one is O=C1OC(Sc2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenylsulfanyl-3H-2-benzofuran-1-one?
The InChIKey is ZKXIHMKLOSZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S/c15-13-11-8-4-5-9-12(11)14(16-13)17-10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 3-phenylsulfanyl-3H-2-benzofuran-1-one?
3-phenylsulfanyl-3H-2-benzofuran-1-one has a molecular weight of 242.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 2752811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).