2-Chloro-4,6-bis(methylthio)-1,3,5-triazine
TL;DR: 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine (CAS 4407-40-3) is a chemical compound with molecular formula C5H6ClN3S2 and molecular weight 206.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4,6-bis(methylsulfanyl)-1,3,5-triazine
Also Known As: s-Triazine,, 2,4-Bis(methylthio)-6-chloro-s-triazine, s-Triazine, 2,4-bis(methylthio)-6-chloro-, S(C)c1nc(Cl)nc(SC)n1, 1,3,5-Triazine, 2-chloro-4,6-bis(methylthio)-
| Molecular Formula | C5H6ClN3S2 |
|---|---|
| Molecular Weight | 206.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.96916 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 4407-40-3 |
|---|---|
| SMILES | CSC1=NC(=NC(=N1)Cl)SC |
| InChIKey | ZPHLQJFYCYTLLX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4,6-bis(methylthio)-1,3,5-triazine (CAS 4407-40-3), with molecular formula C5H6ClN3S2 and molecular weight 206.97 g/mol. IUPAC: 2-chloro-4,6-bis(methylsulfanyl)-1,3,5-triazine.
Chemical Property Profile of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine
Property Insights of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine. Following Lipinski's Rule of Five, 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine has 0 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 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine?
The CAS number of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine is 4407-40-3.
What is the molecular formula of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine?
The molecular formula of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine is C5H6ClN3S2.
What is the molecular weight of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine?
The molecular weight of 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine is 206.97 g/mol.
Where can I buy 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine?
You can request a quote for 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4,6-bis(methylthio)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.