1-oxo-2-phenylthiochromen-4-one

C15H10O2S — CID 15959480

IUPAC1-oxo-2-phenylthiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)c2ccccc21
InChIInChI=1S/C15H10O2S/c16-13-10-15(11-6-2-1-3-7-11)18(17)14-9-5-4-8-12(13)14/h1-10H
InChIKeyQGMPXYBAXDVOTR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.03
Rot. Bonds1

About 1-oxo-2-phenylthiochromen-4-one

1-oxo-2-phenylthiochromen-4-one (PubChem CID 15959480) has the molecular formula C15H10O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-oxo-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name1-oxo-2-phenylthiochromen-4-one
PubChem CID15959480
Molecular FormulaC15H10O2S
Molecular Weight254.31 g/mol
Exact Mass254.04
IUPAC Name1-oxo-2-phenylthiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)c2ccccc21
InChIInChI=1S/C15H10O2S/c16-13-10-15(11-6-2-1-3-7-11)18(17)14-9-5-4-8-12(13)14/h1-10H
InChIKeyQGMPXYBAXDVOTR-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-phenylthiochromen-4-one?
The IUPAC name of 1-oxo-2-phenylthiochromen-4-one (CID 15959480) is 1-oxo-2-phenylthiochromen-4-one.
What is the SMILES notation for 1-oxo-2-phenylthiochromen-4-one?
The canonical SMILES for 1-oxo-2-phenylthiochromen-4-one is O=C1C=C(c2ccccc2)S(=O)c2ccccc21.
What is the InChIKey of 1-oxo-2-phenylthiochromen-4-one?
The InChIKey is QGMPXYBAXDVOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2S/c16-13-10-15(11-6-2-1-3-7-11)18(17)14-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 1-oxo-2-phenylthiochromen-4-one?
1-oxo-2-phenylthiochromen-4-one has a molecular weight of 254.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2-phenylthiochromen-4-one is sourced from PubChem (CID 15959480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).