4,6-dibromodibenzothiophene 5,5-dioxide

Name: 4,6-dibromodibenzothiophene 5,5-dioxide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₆Br₂O₂S — CID 162349580

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4,6-dibromodibenzothiophene 5,5-dioxide

SMILESO=S1(=O)c2c(Br)cccc2-c2cccc(Br)c21

InChIInChI=1S/C12H6Br2O2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)17(15,16)11(7)9/h1-6H

InChIKeyXANUKIBKINCCQF-UHFFFAOYSA-N

MW374.05 g/mol

LogP4.02

Rot. Bonds

About 4,6-dibromodibenzothiophene 5,5-dioxide

4,6-dibromodibenzothiophene 5,5-dioxide (PubChem CID 162349580) has the molecular formula C₁₂H₆Br₂O₂S and a molecular weight of 374.05 g/mol. Its IUPAC name is 4,6-dibromodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name	4,6-dibromodibenzothiophene 5,5-dioxide
PubChem CID	162349580
Molecular Formula	C₁₂H₆Br₂O₂S
Molecular Weight	374.05 g/mol
Exact Mass	371.85
IUPAC Name	4,6-dibromodibenzothiophene 5,5-dioxide
SMILES	O=S1(=O)c2c(Br)cccc2-c2cccc(Br)c21
InChI	InChI=1S/C12H6Br2O2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)17(15,16)11(7)9/h1-6H
InChIKey	XANUKIBKINCCQF-UHFFFAOYSA-N
XLogP	4.02
TPSA	34.14 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.05
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromodibenzothiophene 5,5-dioxide?

The IUPAC name of 4,6-dibromodibenzothiophene 5,5-dioxide (CID 162349580) is 4,6-dibromodibenzothiophene 5,5-dioxide.

What is the SMILES notation for 4,6-dibromodibenzothiophene 5,5-dioxide?

The canonical SMILES for 4,6-dibromodibenzothiophene 5,5-dioxide is O=S1(=O)c2c(Br)cccc2-c2cccc(Br)c21.

What is the InChIKey of 4,6-dibromodibenzothiophene 5,5-dioxide?

The InChIKey is XANUKIBKINCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O2S/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)17(15,16)11(7)9/h1-6H.

What are the key properties of 4,6-dibromodibenzothiophene 5,5-dioxide?

4,6-dibromodibenzothiophene 5,5-dioxide has a molecular weight of 374.05 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dibromodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 162349580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 162349580 — identifiers, structure, computed properties (public domain)

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