1,1-dioxo-2-phenylthiochromen-4-one

C15H10O3S — CID 11129373

IUPAC1,1-dioxo-2-phenylthiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H10O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-10H
InChIKeyFJAZFZVVYUKQSH-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.70
Rot. Bonds1

About 1,1-dioxo-2-phenylthiochromen-4-one

1,1-dioxo-2-phenylthiochromen-4-one (PubChem CID 11129373) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1,1-dioxo-2-phenylthiochromen-4-one.

Molecular Properties

Compound Name1,1-dioxo-2-phenylthiochromen-4-one
PubChem CID11129373
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name1,1-dioxo-2-phenylthiochromen-4-one
SMILESO=C1C=C(c2ccccc2)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H10O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-10H
InChIKeyFJAZFZVVYUKQSH-UHFFFAOYSA-N
XLogP2.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-phenylthiochromen-4-one?
The IUPAC name of 1,1-dioxo-2-phenylthiochromen-4-one (CID 11129373) is 1,1-dioxo-2-phenylthiochromen-4-one.
What is the SMILES notation for 1,1-dioxo-2-phenylthiochromen-4-one?
The canonical SMILES for 1,1-dioxo-2-phenylthiochromen-4-one is O=C1C=C(c2ccccc2)S(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-2-phenylthiochromen-4-one?
The InChIKey is FJAZFZVVYUKQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c16-13-10-15(11-6-2-1-3-7-11)19(17,18)14-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 1,1-dioxo-2-phenylthiochromen-4-one?
1,1-dioxo-2-phenylthiochromen-4-one has a molecular weight of 270.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-phenylthiochromen-4-one is sourced from PubChem (CID 11129373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).