(4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate (CAS 34763-22-9) is a chemical compound with molecular formula C17H19ClN2S2 and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)-2-methylbutan-2-yl] N-pyridin-3-ylcarbamodithioate
Also Known As: (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate, Carbonimidodithioic acid, 3-pyridinyl-, (4-chlorophenyl)methyl 1-methylpropyl ester, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate, [4-(4-chlorophenyl)-2-methylbutan-2-yl] N-pyridin-3-ylcarbamodithioate, 4-(4-Chlorophenyl)-2-methylbutan-2-yl pyridin-3-ylcarbamodithioate
| Molecular Formula | C17H19ClN2S2 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 5.5764 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0678 |
| Heavy Atoms | 22 |
| Complexity | 612.31586 |
Chemical Identifiers
| CAS Number | 34763-22-9 |
|---|---|
| SMILES | CC(C)(CCC1=CC=C(C=C1)Cl)SC(=S)NC2=CN=CC=C2 |
Product Overview
(4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate (CAS 34763-22-9), with molecular formula C17H19ClN2S2 and molecular weight 350.07 g/mol. IUPAC: [4-(4-chlorophenyl)-2-methylbutan-2-yl] N-pyridin-3-ylcarbamodithioate.
Chemical Property Profile of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate
The XLogP value of 5.5764 indicates that (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate is 34763-22-9.
What is the molecular formula of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate is C17H19ClN2S2.
What is the molecular weight of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate is 350.07 g/mol.
Where can I buy (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl 1-methylpropyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.