4-Bromo-2-(2,2-dicyanoethenyl)thiophene
TL;DR: 4-Bromo-2-(2,2-dicyanoethenyl)thiophene (CAS 214831-34-2) is a chemical compound with molecular formula C8H3BrN2S and molecular weight 237.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromothiophen-2-yl)methylidene]propanedinitrile
Also Known As: 4-bromo-2-(2,2-dicyanoethenyl)thiophene, BAS 00453233, 2-[(4-bromothiophen-2-yl)methylidene]propanedinitrile, 2-(4-Bromo-thiophen-2-ylmethylene)-malononitrile, [(4-bromo-2-thienyl)methylene]methane-1,1-dicarbonitrile
| Molecular Formula | C8H3BrN2S |
|---|---|
| Molecular Weight | 237.92 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.92003 |
| Heavy Atoms | 12 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 214831-34-2 |
|---|---|
| SMILES | C1=C(SC=C1Br)C=C(C#N)C#N |
| InChIKey | GJASMJQSGRATBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-(2,2-dicyanoethenyl)thiophene (CAS 214831-34-2), with molecular formula C8H3BrN2S and molecular weight 237.92 g/mol. IUPAC: 2-[(4-bromothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene
Property Insights of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(2,2-dicyanoethenyl)thiophene. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-(2,2-dicyanoethenyl)thiophene. Following Lipinski's Rule of Five, 4-Bromo-2-(2,2-dicyanoethenyl)thiophene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene?
The CAS number of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene is 214831-34-2.
What is the molecular formula of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene?
The molecular formula of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene is C8H3BrN2S.
What is the molecular weight of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene?
The molecular weight of 4-Bromo-2-(2,2-dicyanoethenyl)thiophene is 237.92 g/mol.
Where can I buy 4-Bromo-2-(2,2-dicyanoethenyl)thiophene?
You can request a quote for 4-Bromo-2-(2,2-dicyanoethenyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(2,2-dicyanoethenyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(2,2-dicyanoethenyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.