2,8-dibromodibenzothiophene 5,5-dioxide

C12H6Br2O2S — CID 3905994

IUPAC2,8-dibromodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C12H6Br2O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6H
InChIKeyZFGCKZCEDNBNMV-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.02
Rot. Bonds

About 2,8-dibromodibenzothiophene 5,5-dioxide

2,8-dibromodibenzothiophene 5,5-dioxide (PubChem CID 3905994) has the molecular formula C12H6Br2O2S and a molecular weight of 374.05 g/mol. Its IUPAC name is 2,8-dibromodibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,8-dibromodibenzothiophene 5,5-dioxide
PubChem CID3905994
Molecular FormulaC12H6Br2O2S
Molecular Weight374.05 g/mol
Exact Mass371.85
IUPAC Name2,8-dibromodibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C12H6Br2O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6H
InChIKeyZFGCKZCEDNBNMV-UHFFFAOYSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-1lambda6-benzothiophene-1,1-dione
CID 23261743
2-bromo-9H-thioxanthene 10-oxide
CID 10565624
3,7-Dibromo-dibenzothiophene 5,5-dioxide
CID 4071898
2-Bromodibenzothiophene 5,5-dioxide
CID 554821
5-Bromo-2-methylbenzo[b]thiophene-1,1-dioxide
CID 12346297
5-Bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 12352700
7-Bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 21341970
6-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
CID 84083229
3-Bromo-6-fluorodibenzo[b,d]thiophene 5,5-Dioxide
CID 72703252
7-Bromo-2-fluorodibenzothiophene 5,5-dioxide
CID 72703254
2,8-Dibromodibenzothiophene 5-oxide
CID 11268330
2-Bromodibenzothiophene-5-oxide
CID 15959584

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromodibenzothiophene 5,5-dioxide?
The IUPAC name of 2,8-dibromodibenzothiophene 5,5-dioxide (CID 3905994) is 2,8-dibromodibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,8-dibromodibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,8-dibromodibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(Br)cc2-c2cc(Br)ccc21.
What is the InChIKey of 2,8-dibromodibenzothiophene 5,5-dioxide?
The InChIKey is ZFGCKZCEDNBNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)17(11,15)16/h1-6H.
What are the key properties of 2,8-dibromodibenzothiophene 5,5-dioxide?
2,8-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 2,8-dibromodibenzothiophene 5,5-dioxide is sourced from PubChem (CID 3905994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).