(3-Nitrophenyl)(2-thienylmethylene)amine
TL;DR: (3-Nitrophenyl)(2-thienylmethylene)amine (CAS 78662-36-9) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-nitrophenyl)-1-thiophen-2-ylmethanimine
Also Known As: (3-nitrophenyl)(2-thienylmethylene)amine, 3-nitro-n-(2-thienylmethylene)aniline, N-(2-Thienylmethylene)-3-nitroaniline, 3-nitro-N-(thiophen-2-ylmethylidene)aniline, 3-nitro-N-[(E)-2-thienylmethylidene]aniline
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 78662-36-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])N=CC2=CC=CS2 |
| InChIKey | VDUDJYIQWMDARI-UHFFFAOYSA-N |
Product Overview
(3-Nitrophenyl)(2-thienylmethylene)amine (CAS 78662-36-9), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: N-(3-nitrophenyl)-1-thiophen-2-ylmethanimine.
Chemical Property Profile of (3-Nitrophenyl)(2-thienylmethylene)amine
Property Insights of (3-Nitrophenyl)(2-thienylmethylene)amine
The XLogP value of 3.1 indicates that (3-Nitrophenyl)(2-thienylmethylene)amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitrophenyl)(2-thienylmethylene)amine. Following Lipinski's Rule of Five, (3-Nitrophenyl)(2-thienylmethylene)amine has 0 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 (3-Nitrophenyl)(2-thienylmethylene)amine?
The CAS number of (3-Nitrophenyl)(2-thienylmethylene)amine is 78662-36-9.
What is the molecular formula of (3-Nitrophenyl)(2-thienylmethylene)amine?
The molecular formula of (3-Nitrophenyl)(2-thienylmethylene)amine is C11H8N2O2S.
What is the molecular weight of (3-Nitrophenyl)(2-thienylmethylene)amine?
The molecular weight of (3-Nitrophenyl)(2-thienylmethylene)amine is 232.03 g/mol.
Where can I buy (3-Nitrophenyl)(2-thienylmethylene)amine?
You can request a quote for (3-Nitrophenyl)(2-thienylmethylene)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl)(2-thienylmethylene)amine?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)(2-thienylmethylene)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.