2-benzyl-5-bromothiophene

C11H9BrS — CID 14043782

IUPAC2-benzyl-5-bromothiophene
SMILESBrc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C11H9BrS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUNWJSSMTMUUCGQ-UHFFFAOYSA-N
MW253.16 g/mol
LogP4.10
Rot. Bonds2

About 2-benzyl-5-bromothiophene

2-benzyl-5-bromothiophene (PubChem CID 14043782) has the molecular formula C11H9BrS and a molecular weight of 253.16 g/mol. Its IUPAC name is 2-benzyl-5-bromothiophene.

Molecular Properties

Compound Name2-benzyl-5-bromothiophene
PubChem CID14043782
Molecular FormulaC11H9BrS
Molecular Weight253.16 g/mol
Exact Mass251.96
IUPAC Name2-benzyl-5-bromothiophene
SMILESBrc1ccc(Cc2ccccc2)s1
InChIInChI=1S/C11H9BrS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyUNWJSSMTMUUCGQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-5-bromothiophene 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-benzyl-5-bromothiophene?
The IUPAC name of 2-benzyl-5-bromothiophene (CID 14043782) is 2-benzyl-5-bromothiophene.
What is the SMILES notation for 2-benzyl-5-bromothiophene?
The canonical SMILES for 2-benzyl-5-bromothiophene is Brc1ccc(Cc2ccccc2)s1.
What is the InChIKey of 2-benzyl-5-bromothiophene?
The InChIKey is UNWJSSMTMUUCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrS/c12-11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzyl-5-bromothiophene?
2-benzyl-5-bromothiophene has a molecular weight of 253.16 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-bromothiophene is sourced from PubChem (CID 14043782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).