5-Chloro-N-(2-thienylmethylene)-O-toluidine
TL;DR: 5-Chloro-N-(2-thienylmethylene)-O-toluidine (CAS 57280-84-9) is a chemical compound with molecular formula C12H10ClNS and molecular weight 235.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
Also Known As: N-(5-CHLORO-2-METHYL-PHENYL)-1-THIOPHEN-2-YL-METHANIMINE, N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine, 5-CHLORO-N-(2-THIENYLMETHYLENE)-O-TOLUIDINE, (E)-N-(5-Chloro-2-methylphenyl)-1-(thiophen-2-yl)methanimine, 653-411-8
| Molecular Formula | C12H10ClNS |
|---|---|
| Molecular Weight | 235.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.02225 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 57280-84-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N=CC2=CC=CS2 |
| InChIKey | MRKCAMROVSYVMP-UHFFFAOYSA-N |
Product Overview
5-Chloro-N-(2-thienylmethylene)-O-toluidine (CAS 57280-84-9), with molecular formula C12H10ClNS and molecular weight 235.02 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine.
Chemical Property Profile of 5-Chloro-N-(2-thienylmethylene)-O-toluidine
Property Insights of 5-Chloro-N-(2-thienylmethylene)-O-toluidine
The XLogP value of 4.2 indicates that 5-Chloro-N-(2-thienylmethylene)-O-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 5-Chloro-N-(2-thienylmethylene)-O-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-N-(2-thienylmethylene)-O-toluidine has 0 hydrogen bond donor(s) and 2 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-Chloro-N-(2-thienylmethylene)-O-toluidine?
The CAS number of 5-Chloro-N-(2-thienylmethylene)-O-toluidine is 57280-84-9.
What is the molecular formula of 5-Chloro-N-(2-thienylmethylene)-O-toluidine?
The molecular formula of 5-Chloro-N-(2-thienylmethylene)-O-toluidine is C12H10ClNS.
What is the molecular weight of 5-Chloro-N-(2-thienylmethylene)-O-toluidine?
The molecular weight of 5-Chloro-N-(2-thienylmethylene)-O-toluidine is 235.02 g/mol.
Where can I buy 5-Chloro-N-(2-thienylmethylene)-O-toluidine?
You can request a quote for 5-Chloro-N-(2-thienylmethylene)-O-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-N-(2-thienylmethylene)-O-toluidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-N-(2-thienylmethylene)-O-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.