N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
TL;DR: N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine (CAS 30362-22-2) 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.
N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
Also Known As: J1.613.738C, N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine, 6-(O-CHLOROANILINO)-S-TRIAZINE-2,4-DIYL ISOTHIO*, N-(o-Chlorophenyl)-4,6-diisothiocyanato-s-triazine-2-amine, 1,3,5-Triazin-2-amine,N-(2-chlorophenyl)-4,6-diisothiocyanato-
| Molecular Formula | C11H5ClN6S2 |
|---|---|
| Molecular Weight | 319.97 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.97055 |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 30362-22-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=NC(=NC(=N2)N=C=S)N=C=S)Cl |
| InChIKey | IHXSSXGSVVADSS-UHFFFAOYSA-N |
Product Overview
N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine (CAS 30362-22-2), with molecular formula C11H5ClN6S2 and molecular weight 319.97 g/mol. IUPAC: N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine.
Chemical Property Profile of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
Property Insights of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
The XLogP value of 4.5 indicates that N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine 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 N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine?
The CAS number of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine is 30362-22-2.
What is the molecular formula of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine?
The molecular formula of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine is C11H5ClN6S2.
What is the molecular weight of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine?
The molecular weight of N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine is 319.97 g/mol.
Where can I buy N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine?
You can request a quote for N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.