![Propanedinitrile, [(5-bromo-2-thienyl)methylene]- structure](/static/products/810/81020-78-2.png)
Propanedinitrile, [(5-bromo-2-thienyl)methylene]-
TL;DR: Propanedinitrile, [(5-bromo-2-thienyl)methylene]- (CAS 81020-78-2) 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-[(5-bromothiophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-[(5-bromothiophen-2-yl)methylidene]propanedinitrile, Propanedinitrile, [(5-bromo-2-thienyl)methylene]-, 2-((5-bromothiophen-2-yl)methylene)malononitrile, 2-(5-Bromo-2-thenylidene)malononitrile, 2-[(5-bromo-thiophen-2-yl)methylene]malononitrile
| Molecular Formula | C8H3BrN2S |
|---|---|
| Molecular Weight | 237.92 g/mol |
| LogP | 2.7 |
| 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 | 81020-78-2 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)C=C(C#N)C#N |
| InChIKey | GFTOPUBXWAVPQJ-UHFFFAOYSA-N |
Product Overview
Propanedinitrile, [(5-bromo-2-thienyl)methylene]- (CAS 81020-78-2), with molecular formula C8H3BrN2S and molecular weight 237.92 g/mol. IUPAC: 2-[(5-bromothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [(5-bromo-2-thienyl)methylene]-
Property Insights of Propanedinitrile, [(5-bromo-2-thienyl)methylene]-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [(5-bromo-2-thienyl)methylene]-. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [(5-bromo-2-thienyl)methylene]-. Following Lipinski's Rule of Five, Propanedinitrile, [(5-bromo-2-thienyl)methylene]- 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 Propanedinitrile, [(5-bromo-2-thienyl)methylene]-?
The CAS number of Propanedinitrile, [(5-bromo-2-thienyl)methylene]- is 81020-78-2.
What is the molecular formula of Propanedinitrile, [(5-bromo-2-thienyl)methylene]-?
The molecular formula of Propanedinitrile, [(5-bromo-2-thienyl)methylene]- is C8H3BrN2S.
What is the molecular weight of Propanedinitrile, [(5-bromo-2-thienyl)methylene]-?
The molecular weight of Propanedinitrile, [(5-bromo-2-thienyl)methylene]- is 237.92 g/mol.
Where can I buy Propanedinitrile, [(5-bromo-2-thienyl)methylene]-?
You can request a quote for Propanedinitrile, [(5-bromo-2-thienyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [(5-bromo-2-thienyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [(5-bromo-2-thienyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.