5,5-dioxodibenzothiophene-2,8-diol

C12H8O4S — CID 14419775

IUPAC5,5-dioxodibenzothiophene-2,8-diol
SMILESO=S1(=O)c2ccc(O)cc2-c2cc(O)ccc21
InChIInChI=1S/C12H8O4S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6,13-14H
InChIKeyKLCDHEZIXURIDW-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.91
Rot. Bonds

About 5,5-dioxodibenzothiophene-2,8-diol

5,5-dioxodibenzothiophene-2,8-diol (PubChem CID 14419775) has the molecular formula C12H8O4S and a molecular weight of 248.26 g/mol. Its IUPAC name is 5,5-dioxodibenzothiophene-2,8-diol.

Molecular Properties

Compound Name5,5-dioxodibenzothiophene-2,8-diol
PubChem CID14419775
Molecular FormulaC12H8O4S
Molecular Weight248.26 g/mol
Exact Mass248.01
IUPAC Name5,5-dioxodibenzothiophene-2,8-diol
SMILESO=S1(=O)c2ccc(O)cc2-c2cc(O)ccc21
InChIInChI=1S/C12H8O4S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6,13-14H
InChIKeyKLCDHEZIXURIDW-UHFFFAOYSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxodibenzothiophene-2,8-diol?
The IUPAC name of 5,5-dioxodibenzothiophene-2,8-diol (CID 14419775) is 5,5-dioxodibenzothiophene-2,8-diol.
What is the SMILES notation for 5,5-dioxodibenzothiophene-2,8-diol?
The canonical SMILES for 5,5-dioxodibenzothiophene-2,8-diol is O=S1(=O)c2ccc(O)cc2-c2cc(O)ccc21.
What is the InChIKey of 5,5-dioxodibenzothiophene-2,8-diol?
The InChIKey is KLCDHEZIXURIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6,13-14H.
What are the key properties of 5,5-dioxodibenzothiophene-2,8-diol?
5,5-dioxodibenzothiophene-2,8-diol has a molecular weight of 248.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxodibenzothiophene-2,8-diol is sourced from PubChem (CID 14419775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).