(4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate (CAS 39474-56-1) is a chemical compound with molecular formula C20H25ClN2S2 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfanyl]-1-heptylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: Vantal, DDT-Dimethoate, Dimethoate-DDT, DDT-Rogor mixture, DDT mixture with Dimethoate
| Molecular Formula | C20H25ClN2S2 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 392.11478 |
| Heavy Atoms | 25 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 39474-56-1 |
|---|---|
| SMILES | CCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl |
| InChIKey | RMYOYRRUUOHOHS-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate (CAS 39474-56-1), with molecular formula C20H25ClN2S2 and molecular weight 392.11 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfanyl]-1-heptylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate
The XLogP value of 7.6 indicates that (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate has 0 hydrogen bond donor(s) and 4 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 heptyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate is 39474-56-1.
What is the molecular formula of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate is C20H25ClN2S2.
What is the molecular weight of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate is 392.11 g/mol.
Where can I buy (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-Chlorophenyl)methyl heptyl 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 heptyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl heptyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.