4-bromo-2-ethenylthiophene

C6H5BrS — CID 55264271

IUPAC4-bromo-2-ethenylthiophene
SMILESC=Cc1cc(Br)cs1
InChIInChI=1S/C6H5BrS/c1-2-6-3-5(7)4-8-6/h2-4H,1H2
InChIKeyKMQVMTSAYONIBR-UHFFFAOYSA-N
MW189.08 g/mol
LogP3.15
Rot. Bonds1

About 4-bromo-2-ethenylthiophene

4-bromo-2-ethenylthiophene (PubChem CID 55264271) has the molecular formula C6H5BrS and a molecular weight of 189.08 g/mol. Its IUPAC name is 4-bromo-2-ethenylthiophene.

Molecular Properties

Compound Name4-bromo-2-ethenylthiophene
PubChem CID55264271
Molecular FormulaC6H5BrS
Molecular Weight189.08 g/mol
Exact Mass187.93
IUPAC Name4-bromo-2-ethenylthiophene
SMILESC=Cc1cc(Br)cs1
InChIInChI=1S/C6H5BrS/c1-2-6-3-5(7)4-8-6/h2-4H,1H2
InChIKeyKMQVMTSAYONIBR-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.08
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-ethenylthiophene 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 4-bromo-2-ethenylthiophene?
The IUPAC name of 4-bromo-2-ethenylthiophene (CID 55264271) is 4-bromo-2-ethenylthiophene.
What is the SMILES notation for 4-bromo-2-ethenylthiophene?
The canonical SMILES for 4-bromo-2-ethenylthiophene is C=Cc1cc(Br)cs1.
What is the InChIKey of 4-bromo-2-ethenylthiophene?
The InChIKey is KMQVMTSAYONIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrS/c1-2-6-3-5(7)4-8-6/h2-4H,1H2.
What are the key properties of 4-bromo-2-ethenylthiophene?
4-bromo-2-ethenylthiophene has a molecular weight of 189.08 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethenylthiophene is sourced from PubChem (CID 55264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).