![5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile structure](/static/products/903/903269-75-0.png)
5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile
TL;DR: 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile (CAS 903269-75-0) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(thiophen-2-ylmethylamino)benzonitrile
Also Known As: 5-nitro-2-[(thien-2-ylmethyl)amino]benzonitrile, 5-nitro-2-(thiophen-2-ylmethylamino)benzonitrile, 5-Nitro-2-((thiophen-2-ylmethyl)amino)benzonitrile, 5-nitro-2-[(2-thienylmethyl)amino]benzonitrile, 5-nitro-2-{[(thiophen-2-yl)methyl]amino}benzonitrile
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.14008 |
| Topological Polar Surface Area | 78.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 602.2802 |
Chemical Identifiers
| CAS Number | 903269-75-0 |
|---|---|
| SMILES | C1=CSC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile (CAS 903269-75-0), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 5-nitro-2-(thiophen-2-ylmethylamino)benzonitrile.
Chemical Property Profile of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile
Property Insights of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile
The XLogP value of 3.14008 indicates that 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile. Following Lipinski's Rule of Five, 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile has 1 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 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile?
The CAS number of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile is 903269-75-0.
What is the molecular formula of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile?
The molecular formula of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile is C12H9N3O2S.
What is the molecular weight of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile?
The molecular weight of 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile is 259.04 g/mol.
Where can I buy 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile?
You can request a quote for 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-[(thien-2-ylmethyl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.