3-nitro-N-(thiophen-2-ylmethyl)aniline
TL;DR: 3-nitro-N-(thiophen-2-ylmethyl)aniline (CAS 18210-24-7) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-(thiophen-2-ylmethyl)aniline
Also Known As: m-nitrothenylanilide, N-(2-thenyl)-m-nitroaniline, 3-nitro-N-(thiophen-2-ylmethyl)aniline, 3-nitro-N-thiophen-2-ylmethyl-aniline, 3-nitro-N-[(thiophen-2-yl)methyl]aniline
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 18210-24-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NCC2=CC=CS2 |
| InChIKey | GFUMECRXYFBYHF-UHFFFAOYSA-N |
Product Overview
3-nitro-N-(thiophen-2-ylmethyl)aniline (CAS 18210-24-7), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 3-nitro-N-(thiophen-2-ylmethyl)aniline.
Chemical Property Profile of 3-nitro-N-(thiophen-2-ylmethyl)aniline
Property Insights of 3-nitro-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-nitro-N-(thiophen-2-ylmethyl)aniline. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-N-(thiophen-2-ylmethyl)aniline. Following Lipinski's Rule of Five, 3-nitro-N-(thiophen-2-ylmethyl)aniline 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 3-nitro-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 3-nitro-N-(thiophen-2-ylmethyl)aniline is 18210-24-7.
What is the molecular formula of 3-nitro-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 3-nitro-N-(thiophen-2-ylmethyl)aniline is C11H10N2O2S.
What is the molecular weight of 3-nitro-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 3-nitro-N-(thiophen-2-ylmethyl)aniline is 234.05 g/mol.
Where can I buy 3-nitro-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 3-nitro-N-(thiophen-2-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-N-(thiophen-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.