2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one

C8H7BrOS — CID 616070

IUPAC2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1CCCc2sc(Br)cc21
InChIInChI=1S/C8H7BrOS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2
InChIKeyBUGYSMHCYWWVFJ-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.03
Rot. Bonds

About 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one

2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 616070) has the molecular formula C8H7BrOS and a molecular weight of 231.11 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID616070
Molecular FormulaC8H7BrOS
Molecular Weight231.11 g/mol
Exact Mass229.94
IUPAC Name2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1CCCc2sc(Br)cc21
InChIInChI=1S/C8H7BrOS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2
InChIKeyBUGYSMHCYWWVFJ-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
3-Bromo-1-benzothiophene-2-carbaldehyde
CID 12506014
(2E)-1-(4-bromophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CID 5285183
(5-Bromo-2-thienyl)phenylmethanone
CID 298604
4,5,6,7-Tetrahydro-1-benzothiophen-7-one
CID 10374628
5-Bromo-2,3-dihydro-1-benzothiophen-3-one
CID 10799399
1-(5-Bromo-4-methylthiophen-2-yl)ethan-1-one
CID 45480353
(E)-1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 7185483
(2E,4E)-1-(5-bromothiophen-2-yl)-5-phenylpenta-2,4-dien-1-one
CID 89933581
(2E,4E)-1-(5-bromothiophen-2-yl)-5-(4-fluorophenyl)penta-2,4-dien-1-one
CID 177901321
(2E,4E)-5-(4-bromophenyl)-1-(5-bromothiophen-2-yl)penta-2,4-dien-1-one
CID 177901408
2-Propyn-1-one, 1-(5-bromo-2-thienyl)-3-phenyl-
CID 210951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one (CID 616070) is 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one is O=C1CCCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is BUGYSMHCYWWVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrOS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h4H,1-3H2.
What are the key properties of 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one?
2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 231.11 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 616070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).