dibenzothiophene 5,5-dioxide

C12H8O2S — CID 13908

IUPACdibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChIKeyIKJFYINYNJYDTA-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.50
Rot. Bonds

About dibenzothiophene 5,5-dioxide

dibenzothiophene 5,5-dioxide (PubChem CID 13908) has the molecular formula C12H8O2S and a molecular weight of 216.26 g/mol. Its IUPAC name is dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Namedibenzothiophene 5,5-dioxide
PubChem CID13908
Molecular FormulaC12H8O2S
Molecular Weight216.26 g/mol
Exact Mass216.02
IUPAC Namedibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChIKeyIKJFYINYNJYDTA-UHFFFAOYSA-N
XLogP2.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dibenzothiophene 5,5-dioxide?
The IUPAC name of dibenzothiophene 5,5-dioxide (CID 13908) is dibenzothiophene 5,5-dioxide.
What is the SMILES notation for dibenzothiophene 5,5-dioxide?
The canonical SMILES for dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of dibenzothiophene 5,5-dioxide?
The InChIKey is IKJFYINYNJYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H.
What are the key properties of dibenzothiophene 5,5-dioxide?
dibenzothiophene 5,5-dioxide has a molecular weight of 216.26 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 13908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).