2-bromodibenzothiophene 5-oxide

C12H7BrOS — CID 15959584

IUPAC2-bromodibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C12H7BrOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H
InChIKeyVJGDLIVNJZMHFA-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.60
Rot. Bonds

About 2-bromodibenzothiophene 5-oxide

2-bromodibenzothiophene 5-oxide (PubChem CID 15959584) has the molecular formula C12H7BrOS and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-bromodibenzothiophene 5-oxide.

Molecular Properties

Compound Name2-bromodibenzothiophene 5-oxide
PubChem CID15959584
Molecular FormulaC12H7BrOS
Molecular Weight279.16 g/mol
Exact Mass277.94
IUPAC Name2-bromodibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(Br)ccc21
InChIInChI=1S/C12H7BrOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H
InChIKeyVJGDLIVNJZMHFA-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromodibenzothiophene 5-oxide?
The IUPAC name of 2-bromodibenzothiophene 5-oxide (CID 15959584) is 2-bromodibenzothiophene 5-oxide.
What is the SMILES notation for 2-bromodibenzothiophene 5-oxide?
The canonical SMILES for 2-bromodibenzothiophene 5-oxide is O=S1c2ccccc2-c2cc(Br)ccc21.
What is the InChIKey of 2-bromodibenzothiophene 5-oxide?
The InChIKey is VJGDLIVNJZMHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H.
What are the key properties of 2-bromodibenzothiophene 5-oxide?
2-bromodibenzothiophene 5-oxide has a molecular weight of 279.16 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromodibenzothiophene 5-oxide is sourced from PubChem (CID 15959584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).