2-bromodibenzothiophene 5,5-dioxide

C12H7BrO2S — CID 554821

IUPAC2-bromodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C12H7BrO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H
InChIKeyWRKJLRFOQLWYOW-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.26
Rot. Bonds

About 2-bromodibenzothiophene 5,5-dioxide

2-bromodibenzothiophene 5,5-dioxide (PubChem CID 554821) has the molecular formula C12H7BrO2S and a molecular weight of 295.16 g/mol. Its IUPAC name is 2-bromodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-bromodibenzothiophene 5,5-dioxide
PubChem CID554821
Molecular FormulaC12H7BrO2S
Molecular Weight295.16 g/mol
Exact Mass293.94
IUPAC Name2-bromodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C12H7BrO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H
InChIKeyWRKJLRFOQLWYOW-UHFFFAOYSA-N
XLogP3.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzothiophene 5,5-dioxide?
The IUPAC name of 2-bromodibenzothiophene 5,5-dioxide (CID 554821) is 2-bromodibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-bromodibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-bromodibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 2-bromodibenzothiophene 5,5-dioxide?
The InChIKey is WRKJLRFOQLWYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO2S/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)16(12,14)15/h1-7H.
What are the key properties of 2-bromodibenzothiophene 5,5-dioxide?
2-bromodibenzothiophene 5,5-dioxide has a molecular weight of 295.16 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 554821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).