2-bromo-4-phenylthiophene

C10H7BrS — CID 901466

IUPAC2-bromo-4-phenylthiophene
SMILESBrc1cc(-c2ccccc2)cs1
InChIInChI=1S/C10H7BrS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H
InChIKeyWLWHJGGGVGSHGM-UHFFFAOYSA-N
MW239.14 g/mol
LogP4.18
Rot. Bonds1

About 2-bromo-4-phenylthiophene

2-bromo-4-phenylthiophene (PubChem CID 901466) has the molecular formula C10H7BrS and a molecular weight of 239.14 g/mol. Its IUPAC name is 2-bromo-4-phenylthiophene.

Molecular Properties

Compound Name2-bromo-4-phenylthiophene
PubChem CID901466
Molecular FormulaC10H7BrS
Molecular Weight239.14 g/mol
Exact Mass237.95
IUPAC Name2-bromo-4-phenylthiophene
SMILESBrc1cc(-c2ccccc2)cs1
InChIInChI=1S/C10H7BrS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H
InChIKeyWLWHJGGGVGSHGM-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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-phenylthiophene?
The IUPAC name of 2-bromo-4-phenylthiophene (CID 901466) is 2-bromo-4-phenylthiophene.
What is the SMILES notation for 2-bromo-4-phenylthiophene?
The canonical SMILES for 2-bromo-4-phenylthiophene is Brc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-bromo-4-phenylthiophene?
The InChIKey is WLWHJGGGVGSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrS/c11-10-6-9(7-12-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-bromo-4-phenylthiophene?
2-bromo-4-phenylthiophene 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-bromo-4-phenylthiophene is sourced from PubChem (CID 901466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).