![[(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile structure](/static/products/810/81020-77-1.png)
[(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile
TL;DR: [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile (CAS 81020-77-1) is a chemical compound with molecular formula C9H6N2S and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methylthiophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-[(5-methylthiophen-2-yl)methylidene]propanedinitrile, [(5-methylthiophen-2-yl)methylidene]propanedinitrile, 2-[(5-methyl-2-thienyl)methylene]malononitrile, [(5-methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile, 2-(5-methyl-thiophene-2-ylmethylene)-malononitrile
| Molecular Formula | C9H6N2S |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.48708 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02516 |
| Heavy Atoms | 12 |
| Complexity | 371.39642 |
Chemical Identifiers
| CAS Number | 81020-77-1 |
|---|---|
| SMILES | CC1=CC=C(S1)C=C(C#N)C#N |
Product Overview
[(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile (CAS 81020-77-1), with molecular formula C9H6N2S and molecular weight 174.03 g/mol. IUPAC: 2-[(5-methylthiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile
Property Insights of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile
The XLogP value of 2.48708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 47.58 Ų, [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile 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 [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile?
The CAS number of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile is 81020-77-1.
What is the molecular formula of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile?
The molecular formula of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile is C9H6N2S.
What is the molecular weight of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile?
The molecular weight of [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile is 174.03 g/mol.
Where can I buy [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile?
You can request a quote for [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(5-Methyl-2-thienyl)methylene]methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.