cobalt;10-oxothioxanthen-9-one

C13H8CoO2S — CID 158047817

IUPACcobalt;10-oxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)c2ccccc21.[Co]
InChIInChI=1S/C13H8O2S.Co/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13;/h1-8H;
InChIKeyFJCWKHICLZWVRU-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.40
Rot. Bonds

About cobalt;10-oxothioxanthen-9-one

cobalt;10-oxothioxanthen-9-one (PubChem CID 158047817) has the molecular formula C13H8CoO2S and a molecular weight of 287.20 g/mol. Its IUPAC name is cobalt;10-oxothioxanthen-9-one.

Molecular Properties

Compound Namecobalt;10-oxothioxanthen-9-one
PubChem CID158047817
Molecular FormulaC13H8CoO2S
Molecular Weight287.20 g/mol
Exact Mass286.96
IUPAC Namecobalt;10-oxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)c2ccccc21.[Co]
InChIInChI=1S/C13H8O2S.Co/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13;/h1-8H;
InChIKeyFJCWKHICLZWVRU-UHFFFAOYSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cobalt;10-oxothioxanthen-9-one?
The IUPAC name of cobalt;10-oxothioxanthen-9-one (CID 158047817) is cobalt;10-oxothioxanthen-9-one.
What is the SMILES notation for cobalt;10-oxothioxanthen-9-one?
The canonical SMILES for cobalt;10-oxothioxanthen-9-one is O=C1c2ccccc2S(=O)c2ccccc21.[Co].
What is the InChIKey of cobalt;10-oxothioxanthen-9-one?
The InChIKey is FJCWKHICLZWVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S.Co/c14-13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)13;/h1-8H;.
What are the key properties of cobalt;10-oxothioxanthen-9-one?
cobalt;10-oxothioxanthen-9-one has a molecular weight of 287.20 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;10-oxothioxanthen-9-one is sourced from PubChem (CID 158047817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).