![[4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate structure](/static/products/3036/30362-24-4.webp)
[4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
TL;DR: [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate (CAS 30362-24-4) is a chemical compound with molecular formula C11H5ClN6S2 and molecular weight 319.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
Also Known As: J1.614.075I, [4-(2-chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate, 6-(O-CHLOROANILINO)-S-TRIAZINE-2,4-DIYL THIOCYA*, 6-(2-Chloroanilino)-1,3,5-triazine-2,4-diyl bis(thiocyanate), S,S -[6-(o-Chloroanilino)-s-triazine-2,4-diyl]bis(thiocyanic acid)
| Molecular Formula | C11H5ClN6S2 |
|---|---|
| Molecular Weight | 319.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.97055 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 30362-24-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=NC(=NC(=N2)SC#N)SC#N)Cl |
| InChIKey | CXDXOSNNTHXHHF-UHFFFAOYSA-N |
Product Overview
[4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate (CAS 30362-24-4), with molecular formula C11H5ClN6S2 and molecular weight 319.97 g/mol. IUPAC: [4-(2-chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate.
Chemical Property Profile of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
Property Insights of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate. The TPSA of 149.0 Ų indicates high polarity, suggesting [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate has 1 hydrogen bond donor(s) and 8 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 [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate?
The CAS number of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate is 30362-24-4.
What is the molecular formula of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate?
The molecular formula of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate is C11H5ClN6S2.
What is the molecular weight of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate?
The molecular weight of [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate is 319.97 g/mol.
Where can I buy [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate?
You can request a quote for [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-Chloroanilino)-6-thiocyanato-1,3,5-triazin-2-yl] thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.