10,10-dioxo-3-phenylthioxanthen-9-one

C19H12O3S — CID 11587795

IUPAC10,10-dioxo-3-phenylthioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H12O3S/c20-19-15-8-4-5-9-17(15)23(21,22)18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-12H
InChIKeyOJZPCTVVGIHAOU-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.73
Rot. Bonds1

About 10,10-dioxo-3-phenylthioxanthen-9-one

10,10-dioxo-3-phenylthioxanthen-9-one (PubChem CID 11587795) has the molecular formula C19H12O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 10,10-dioxo-3-phenylthioxanthen-9-one.

Molecular Properties

Compound Name10,10-dioxo-3-phenylthioxanthen-9-one
PubChem CID11587795
Molecular FormulaC19H12O3S
Molecular Weight320.37 g/mol
Exact Mass320.05
IUPAC Name10,10-dioxo-3-phenylthioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C19H12O3S/c20-19-15-8-4-5-9-17(15)23(21,22)18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-12H
InChIKeyOJZPCTVVGIHAOU-UHFFFAOYSA-N
XLogP3.73
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-3-phenylthioxanthen-9-one?
The IUPAC name of 10,10-dioxo-3-phenylthioxanthen-9-one (CID 11587795) is 10,10-dioxo-3-phenylthioxanthen-9-one.
What is the SMILES notation for 10,10-dioxo-3-phenylthioxanthen-9-one?
The canonical SMILES for 10,10-dioxo-3-phenylthioxanthen-9-one is O=C1c2ccccc2S(=O)(=O)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 10,10-dioxo-3-phenylthioxanthen-9-one?
The InChIKey is OJZPCTVVGIHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O3S/c20-19-15-8-4-5-9-17(15)23(21,22)18-12-14(10-11-16(18)19)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 10,10-dioxo-3-phenylthioxanthen-9-one?
10,10-dioxo-3-phenylthioxanthen-9-one has a molecular weight of 320.37 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-3-phenylthioxanthen-9-one is sourced from PubChem (CID 11587795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).