2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile
TL;DR: 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile (CAS 660849-72-9) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(thiophen-2-ylmethylamino)methylidene]propanedinitrile
Also Known As: 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile, 2-[(thiophen-2-ylmethylamino)methylidene]propanedinitrile
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.76876 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 348.55435 |
Chemical Identifiers
| CAS Number | 660849-72-9 |
|---|---|
| SMILES | C1=CSC(=C1)CNC=C(C#N)C#N |
Product Overview
2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile (CAS 660849-72-9), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 2-[(thiophen-2-ylmethylamino)methylidene]propanedinitrile.
Chemical Property Profile of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile
Property Insights of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile
The XLogP value of 1.76876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile has 1 hydrogen bond donor(s) and 4 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-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile?
The CAS number of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile is 660849-72-9.
What is the molecular formula of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile?
The molecular formula of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile is C9H7N3S.
What is the molecular weight of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile?
The molecular weight of 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile is 189.04 g/mol.
Where can I buy 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile?
You can request a quote for 2-(((Thiophen-2-ylmethyl)amino)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-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((Thiophen-2-ylmethyl)amino)methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.