(4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate
TL;DR: (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate (CAS 13733-97-6) is a chemical compound with molecular formula C14H15ClN4S2 and molecular weight 338.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate
Also Known As: J1.564.540G, (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate, 4-CHLORO-6-PHENYL-S-TRIAZIN-2-YL DIETHYLDITHIOC*, 4-chloro-6-phenyl-1,3,5-triazin-2-yl diethylcarbamodithioate, Diethyldithiocarbamic acid 4-chloro-6-phenyl-1,3,5-triazine-2-yl ester
| Molecular Formula | C14H15ClN4S2 |
|---|---|
| Molecular Weight | 338.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.04266 |
| Heavy Atoms | 21 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 13733-97-6 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1=NC(=NC(=N1)C2=CC=CC=C2)Cl |
| InChIKey | AFFIARYNSDBJAI-UHFFFAOYSA-N |
Product Overview
(4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate (CAS 13733-97-6), with molecular formula C14H15ClN4S2 and molecular weight 338.04 g/mol. IUPAC: (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate.
Chemical Property Profile of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate
Property Insights of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate
The XLogP value of 4.6 indicates that (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate. Following Lipinski's Rule of Five, (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate 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 (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate?
The CAS number of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate is 13733-97-6.
What is the molecular formula of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate?
The molecular formula of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate is C14H15ClN4S2.
What is the molecular weight of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate?
The molecular weight of (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate is 338.04 g/mol.
Where can I buy (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate?
You can request a quote for (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-chloro-6-phenyl-1,3,5-triazin-2-yl) N,N-diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.