6-bromo-2-phenyl-1-benzothiophene

C14H9BrS — CID 162413927

IUPAC6-bromo-2-phenyl-1-benzothiophene
SMILESBrc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C14H9BrS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyCCUUWCVSDGAZBC-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.33
Rot. Bonds1

About 6-bromo-2-phenyl-1-benzothiophene

6-bromo-2-phenyl-1-benzothiophene (PubChem CID 162413927) has the molecular formula C14H9BrS and a molecular weight of 289.20 g/mol. Its IUPAC name is 6-bromo-2-phenyl-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-2-phenyl-1-benzothiophene
PubChem CID162413927
Molecular FormulaC14H9BrS
Molecular Weight289.20 g/mol
Exact Mass287.96
IUPAC Name6-bromo-2-phenyl-1-benzothiophene
SMILESBrc1ccc2cc(-c3ccccc3)sc2c1
InChIInChI=1S/C14H9BrS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9H
InChIKeyCCUUWCVSDGAZBC-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-2-phenyl-1-benzothiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-1-benzothiophene?
The IUPAC name of 6-bromo-2-phenyl-1-benzothiophene (CID 162413927) is 6-bromo-2-phenyl-1-benzothiophene.
What is the SMILES notation for 6-bromo-2-phenyl-1-benzothiophene?
The canonical SMILES for 6-bromo-2-phenyl-1-benzothiophene is Brc1ccc2cc(-c3ccccc3)sc2c1.
What is the InChIKey of 6-bromo-2-phenyl-1-benzothiophene?
The InChIKey is CCUUWCVSDGAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-bromo-2-phenyl-1-benzothiophene?
6-bromo-2-phenyl-1-benzothiophene has a molecular weight of 289.20 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-1-benzothiophene is sourced from PubChem (CID 162413927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).