2,8-dibromodibenzothiophene 5-oxide

C12H6Br2OS — CID 11268330

IUPAC2,8-dibromodibenzothiophene 5-oxide
SMILESO=S1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C12H6Br2OS/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16(11)15/h1-6H
InChIKeyJZZPIORJACYCFF-UHFFFAOYSA-N
MW358.05 g/mol
LogP4.36
Rot. Bonds

About 2,8-dibromodibenzothiophene 5-oxide

2,8-dibromodibenzothiophene 5-oxide (PubChem CID 11268330) has the molecular formula C12H6Br2OS and a molecular weight of 358.05 g/mol. Its IUPAC name is 2,8-dibromodibenzothiophene 5-oxide.

Molecular Properties

Compound Name2,8-dibromodibenzothiophene 5-oxide
PubChem CID11268330
Molecular FormulaC12H6Br2OS
Molecular Weight358.05 g/mol
Exact Mass355.85
IUPAC Name2,8-dibromodibenzothiophene 5-oxide
SMILESO=S1c2ccc(Br)cc2-c2cc(Br)ccc21
InChIInChI=1S/C12H6Br2OS/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16(11)15/h1-6H
InChIKeyJZZPIORJACYCFF-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.05
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromodibenzothiophene
CID 299508
2,8-Dibromodibenzothiophene
CID 631120
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-2,3-dihydro-1-benzothiophene
CID 12341513
5-Bromo-2-methylbenzo[b]thiophene-1,1-dioxide
CID 12346297
5-Bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 12352700
3-Bromo-6-fluorodibenzo[b,d]thiophene 5,5-Dioxide
CID 72703252
7-Bromo-2-fluorodibenzothiophene 5,5-dioxide
CID 72703254
2,8-Dibromodibenzothiophene 5,5-dioxide
CID 3905994
2-Bromodibenzothiophene-5-oxide
CID 15959584

Frequently Asked Questions

What is the IUPAC name of 2,8-dibromodibenzothiophene 5-oxide?
The IUPAC name of 2,8-dibromodibenzothiophene 5-oxide (CID 11268330) is 2,8-dibromodibenzothiophene 5-oxide.
What is the SMILES notation for 2,8-dibromodibenzothiophene 5-oxide?
The canonical SMILES for 2,8-dibromodibenzothiophene 5-oxide is O=S1c2ccc(Br)cc2-c2cc(Br)ccc21.
What is the InChIKey of 2,8-dibromodibenzothiophene 5-oxide?
The InChIKey is JZZPIORJACYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2OS/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)16(11)15/h1-6H.
What are the key properties of 2,8-dibromodibenzothiophene 5-oxide?
2,8-dibromodibenzothiophene 5-oxide has a molecular weight of 358.05 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dibromodibenzothiophene 5-oxide is sourced from PubChem (CID 11268330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).