Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-
TL;DR: Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- (CAS 314279-45-3) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)methanimine
Also Known As: N-[(3-methyl-2-thienyl)methylene]-3-nitroaniline, BIM-0013535.P001, Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-, 1-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)methanimine, AN-329/09956035
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 314279-45-3 |
|---|---|
| SMILES | CC1=C(SC=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ODIGUMXKNCMWMF-UHFFFAOYSA-N |
Product Overview
Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- (CAS 314279-45-3), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 1-(3-methylthiophen-2-yl)-N-(3-nitrophenyl)methanimine.
Chemical Property Profile of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-
Property Insights of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-
The XLogP value of 3.4 indicates that Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- 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 Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-. Following Lipinski's Rule of Five, Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- 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 Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-?
The CAS number of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- is 314279-45-3.
What is the molecular formula of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-?
The molecular formula of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- is C12H10N2O2S.
What is the molecular weight of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-?
The molecular weight of Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- is 246.05 g/mol.
Where can I buy Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-?
You can request a quote for Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Thiophene, 2-(3-nitrophenyliminomethyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.