6-Bromobenzo[b]thiophene 1,1-dioxide

C8H5BrO2S — CID 69998607

IUPAC6-bromo-1-benzothiophene 1,1-dioxide
SMILESC1=CC(=CC2=C1C=CS2(=O)=O)Br
InChIInChI=1S/C8H5BrO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H
InChIKeyRLNMVIHJGUEPEA-UHFFFAOYSA-N
MW245.09 g/mol
LogP1.60
Rot. Bonds

About 6-Bromobenzo[b]thiophene 1,1-dioxide

6-Bromobenzo[b]thiophene 1,1-dioxide (PubChem CID 69998607) has the molecular formula C8H5BrO2S and a molecular weight of 245.09 g/mol. Its IUPAC name is 6-bromo-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name6-Bromobenzo[b]thiophene 1,1-dioxide
PubChem CID69998607
Molecular FormulaC8H5BrO2S
Molecular Weight245.09 g/mol
Exact Mass243.92
IUPAC Name6-bromo-1-benzothiophene 1,1-dioxide
SMILESC1=CC(=CC2=C1C=CS2(=O)=O)Br
InChIInChI=1S/C8H5BrO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H
InChIKeyRLNMVIHJGUEPEA-UHFFFAOYSA-N
XLogP1.60
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity302

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzothiophene 1,1-dioxide
CID 69997
3-Bromo-1lambda6-benzothiophene-1,1-dione
CID 97582
2-Bromobenzothiophene sulfone
CID 138468
1-Bromo-3-(ethenesulfonyl)benzene
CID 855002
5-Bromo-1lambda6-benzothiophene-1,1-dione
CID 23261743
3-Bromobenzothiophene sulfoxide
CID 5463323
3,7-Dibromo-dibenzothiophene 5,5-dioxide
CID 4071898
6-Bromo-2,3-dihydro-1lambda6-benzothiophene-1,1-dione
CID 12341518
1-Bromo-4-((methylsulfonyl)methyl)benzene
CID 2761415
4-Bromo-2-methanesulfonyl-1-methylbenzene
CID 2761056
4-Bromo-1-(bromomethyl)-2-(methylsulfonyl)benzene
CID 2761074
5-Bromo-2-methylbenzenesulphonyl chloride
CID 4962163

Frequently Asked Questions

What is the IUPAC name of 6-Bromobenzo[b]thiophene 1,1-dioxide?
The IUPAC name of 6-Bromobenzo[b]thiophene 1,1-dioxide (CID 69998607) is 6-bromo-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 6-Bromobenzo[b]thiophene 1,1-dioxide?
The canonical SMILES for 6-Bromobenzo[b]thiophene 1,1-dioxide is C1=CC(=CC2=C1C=CS2(=O)=O)Br.
What is the InChIKey of 6-Bromobenzo[b]thiophene 1,1-dioxide?
The InChIKey is RLNMVIHJGUEPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H.
What are the key properties of 6-Bromobenzo[b]thiophene 1,1-dioxide?
6-Bromobenzo[b]thiophene 1,1-dioxide has a molecular weight of 245.09 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Bromobenzo[b]thiophene 1,1-dioxide is sourced from PubChem (CID 69998607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).