2-((5-Chlorothiophen-2-yl)methylene)malononitrile
TL;DR: 2-((5-Chlorothiophen-2-yl)methylene)malononitrile (CAS 84653-68-9) is a chemical compound with molecular formula C8H3ClN2S and molecular weight 193.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-chlorothiophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-((5-Chlorothiophen-2-yl)methylene)malononitrile, 2-[(5-chlorothiophen-2-yl)methylidene]propanedinitrile
| Molecular Formula | C8H3ClN2S |
|---|---|
| Molecular Weight | 193.97 g/mol |
| LogP | 2.83206 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.97055 |
| Heavy Atoms | 12 |
| Complexity | 375.92575 |
Chemical Identifiers
| CAS Number | 84653-68-9 |
|---|---|
| SMILES | C1=C(SC(=C1)Cl)C=C(C#N)C#N |
Product Overview
2-((5-Chlorothiophen-2-yl)methylene)malononitrile (CAS 84653-68-9), with molecular formula C8H3ClN2S and molecular weight 193.97 g/mol. IUPAC: 2-[(5-chlorothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile
Property Insights of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile
The XLogP value of 2.83206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Chlorothiophen-2-yl)methylene)malononitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-((5-Chlorothiophen-2-yl)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-Chlorothiophen-2-yl)methylene)malononitrile 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 2-((5-Chlorothiophen-2-yl)methylene)malononitrile?
The CAS number of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile is 84653-68-9.
What is the molecular formula of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile?
The molecular formula of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile is C8H3ClN2S.
What is the molecular weight of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile?
The molecular weight of 2-((5-Chlorothiophen-2-yl)methylene)malononitrile is 193.97 g/mol.
Where can I buy 2-((5-Chlorothiophen-2-yl)methylene)malononitrile?
You can request a quote for 2-((5-Chlorothiophen-2-yl)methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Chlorothiophen-2-yl)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Chlorothiophen-2-yl)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.