4,6-dibromodibenzothiophene 5,5-dioxide

C12H6Br2O2S — CID 162349580

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 Name4,6-dibromodibenzothiophene 5,5-dioxide
PubChem CID162349580
Molecular FormulaC12H6Br2O2S
Molecular Weight374.05 g/mol
Exact Mass371.85
IUPAC Name4,6-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
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

4-bromo-6-deuteriodibenzothiophene 5,5-dioxide
CID 164823122
2-(7-bromo-1,1-dioxo-1-benzothiophen-3-yl)ethanamine
CID 117197530
1-(7-bromo-1,1-dioxo-1-benzothiophen-2-yl)ethanone
CID 117196747
2-(7-bromo-1,1-dioxo-1-benzothiophen-2-yl)ethanamine
CID 117196774
7-bromo-6H-benzo[c][1,2]benzothiazine 5,5-dioxide
CID 154118994
1-bromo-6-methyl-10,10-dioxothioxanthen-9-one
CID 135133751
4-methyl-5,5-dioxo-6-phenyldibenzothiophen-2-ol
CID 167107193
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331
1-(2-bromophenyl)-2-fluoro-3-methylbenzene
CID 151989119
3-(7-bromo-1,1-dioxo-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 117196783

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).