(2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
TL;DR: (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate (CAS 39479-66-8) is a chemical compound with molecular formula C14H12Cl2N2S2 and molecular weight 341.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate, KST-1A4526, Carbonimidodithioic acid, 3-pyridinyl-, (2,6-dichlorophenyl)methyl methyl ester, 2,6-dichlorobenzyl methyl pyridin-3-ylcarbonodithioimidate, 1-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine
| Molecular Formula | C14H12Cl2N2S2 |
|---|---|
| Molecular Weight | 341.98 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.9819 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 39479-66-8 |
|---|---|
| SMILES | CSC(=NC1=CN=CC=C1)SCC2=C(C=CC=C2Cl)Cl |
| InChIKey | WHVRGQMKPMJAFH-UHFFFAOYSA-N |
Product Overview
(2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate (CAS 39479-66-8), with molecular formula C14H12Cl2N2S2 and molecular weight 341.98 g/mol. IUPAC: 1-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
Property Insights of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 5.1 indicates that (2,6-Dichlorophenyl)methyl methyl 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 (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (2,6-Dichlorophenyl)methyl methyl 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 (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The CAS number of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is 39479-66-8.
What is the molecular formula of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is C14H12Cl2N2S2.
What is the molecular weight of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is 341.98 g/mol.
Where can I buy (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.