2-(4-bromophenyl)thiophene

C10H7BrS — CID 7018298

IUPAC2-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKeyXKOJJKOSNQXQGP-UHFFFAOYSA-N
MW239.14 g/mol
LogP4.18
Rot. Bonds1

About 2-(4-bromophenyl)thiophene

2-(4-bromophenyl)thiophene (PubChem CID 7018298) has the molecular formula C10H7BrS and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)thiophene.

Molecular Properties

Compound Name2-(4-bromophenyl)thiophene
PubChem CID7018298
Molecular FormulaC10H7BrS
Molecular Weight239.14 g/mol
Exact Mass237.95
IUPAC Name2-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2cccs2)cc1
InChIInChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKeyXKOJJKOSNQXQGP-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)thiophene 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 2-(4-bromophenyl)thiophene?
The IUPAC name of 2-(4-bromophenyl)thiophene (CID 7018298) is 2-(4-bromophenyl)thiophene.
What is the SMILES notation for 2-(4-bromophenyl)thiophene?
The canonical SMILES for 2-(4-bromophenyl)thiophene is Brc1ccc(-c2cccs2)cc1.
What is the InChIKey of 2-(4-bromophenyl)thiophene?
The InChIKey is XKOJJKOSNQXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H.
What are the key properties of 2-(4-bromophenyl)thiophene?
2-(4-bromophenyl)thiophene has a molecular weight of 239.14 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)thiophene is sourced from PubChem (CID 7018298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).