10,10-dioxo-9H-thioxanthen-9-ol

C13H10O3S — CID 12761425

IUPAC10,10-dioxo-9H-thioxanthen-9-ol
SMILESO=S1(=O)c2ccccc2C(O)c2ccccc21
InChIInChI=1S/C13H10O3S/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKeyWZGGHJXZYQKKSV-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.91
Rot. Bonds

About 10,10-dioxo-9H-thioxanthen-9-ol

10,10-dioxo-9H-thioxanthen-9-ol (PubChem CID 12761425) has the molecular formula C13H10O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 10,10-dioxo-9H-thioxanthen-9-ol.

Molecular Properties

Compound Name10,10-dioxo-9H-thioxanthen-9-ol
PubChem CID12761425
Molecular FormulaC13H10O3S
Molecular Weight246.29 g/mol
Exact Mass246.04
IUPAC Name10,10-dioxo-9H-thioxanthen-9-ol
SMILESO=S1(=O)c2ccccc2C(O)c2ccccc21
InChIInChI=1S/C13H10O3S/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13/h1-8,13-14H
InChIKeyWZGGHJXZYQKKSV-UHFFFAOYSA-N
XLogP1.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dioxo-9H-thioxanthen-9-ol?
The IUPAC name of 10,10-dioxo-9H-thioxanthen-9-ol (CID 12761425) is 10,10-dioxo-9H-thioxanthen-9-ol.
What is the SMILES notation for 10,10-dioxo-9H-thioxanthen-9-ol?
The canonical SMILES for 10,10-dioxo-9H-thioxanthen-9-ol is O=S1(=O)c2ccccc2C(O)c2ccccc21.
What is the InChIKey of 10,10-dioxo-9H-thioxanthen-9-ol?
The InChIKey is WZGGHJXZYQKKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3S/c14-13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)13/h1-8,13-14H.
What are the key properties of 10,10-dioxo-9H-thioxanthen-9-ol?
10,10-dioxo-9H-thioxanthen-9-ol has a molecular weight of 246.29 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dioxo-9H-thioxanthen-9-ol is sourced from PubChem (CID 12761425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).