2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile
TL;DR: 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile (CAS 570416-83-0) is a chemical compound with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-4-nitrothiophen-2-yl)methylidene]propanedinitrile
Also Known As: 2-({5-ethyl-4-nitro-2-thienyl}methylene)malononitrile, 2-[(5-ethyl-4-nitrothiophen-2-yl)methylidene]propanedinitrile, [(5-ethyl-4-nitrothiophen-2-yl)methylidene]propanedinitrile, 1-CYANO-2-(5-ETHYL-4-NITRO-2-THIENYL)VINYL CYANIDE
| Molecular Formula | C10H7N3O2S |
|---|---|
| Molecular Weight | 233.03 g/mol |
| LogP | 2.64926 |
| Topological Polar Surface Area | 90.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0259 |
| Heavy Atoms | 16 |
| Complexity | 515.23956 |
Chemical Identifiers
| CAS Number | 570416-83-0 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C=C(C#N)C#N)[N+](=O)[O-] |
Product Overview
2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile (CAS 570416-83-0), with molecular formula C10H7N3O2S and molecular weight 233.03 g/mol. IUPAC: 2-[(5-ethyl-4-nitrothiophen-2-yl)methylidene]propanedinitrile.
Chemical Property Profile of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile
Property Insights of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile
The XLogP value of 2.64926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile. The TPSA of 90.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile. Following Lipinski's Rule of Five, 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile has 0 hydrogen bond donor(s) and 5 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-Ethyl-4-nitro-2-thienyl}methylene)malononitrile?
The CAS number of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile is 570416-83-0.
What is the molecular formula of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile?
The molecular formula of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile is C10H7N3O2S.
What is the molecular weight of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile?
The molecular weight of 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile is 233.03 g/mol.
Where can I buy 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile?
You can request a quote for 2-({5-Ethyl-4-nitro-2-thienyl}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-Ethyl-4-nitro-2-thienyl}methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-Ethyl-4-nitro-2-thienyl}methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.