![{4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate structure](/static/products/5001/500197-05-7.webp)
{4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate
TL;DR: {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate (CAS 500197-05-7) is a chemical compound with molecular formula C16H21ClN6S2 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N,N-diethylcarbamodithioate
Also Known As: {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate, ({4-amino-6-[(3-chloro-2-methylphenyl)amino](1,3,5-triazin-2-yl)}methylthio)(d iethylamino)methane-1-thione, (4-amino-6-((3-chloro-2-methylphenyl)amino)-1,3,5-triazin-2-yl)methyl diethylcarbamodithioate, [4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N,N-diethylcarbamodithioate, {(4E)-6-amino-4-[(3-chloro-2-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate
| Molecular Formula | C16H21ClN6S2 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 4.01912 |
| Topological Polar Surface Area | 79.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.09576 |
| Heavy Atoms | 25 |
| Complexity | 751.39996 |
Chemical Identifiers
| CAS Number | 500197-05-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC1=NC(=NC(=N1)NC2=C(C(=CC=C2)Cl)C)N |
Product Overview
{4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate (CAS 500197-05-7), with molecular formula C16H21ClN6S2 and molecular weight 396.10 g/mol. IUPAC: [4-amino-6-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl N,N-diethylcarbamodithioate.
Chemical Property Profile of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate
Property Insights of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate
The XLogP value of 4.01912 indicates that {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.96 Ų falls within the moderate polarity range, balancing permeability and solubility for {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate. Following Lipinski's Rule of Five, {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate has 2 hydrogen bond donor(s) and 7 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-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate?
The CAS number of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate is 500197-05-7.
What is the molecular formula of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate?
The molecular formula of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate is C16H21ClN6S2.
What is the molecular weight of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate?
The molecular weight of {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate is 396.10 g/mol.
Where can I buy {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate?
You can request a quote for {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for {4-amino-6-[(3-chloro-2-methylphenyl)amino]-1,3,5-triazin-2-yl}methyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.