(2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
TL;DR: (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate (CAS 3947-67-9) is a chemical compound with molecular formula C14H13ClN2S2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-chlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate, KST-1A4525, N-(3-aminobenzyl)-N,N-diethylamine, methylmethyl3-pyridinylcarbonimidodithioate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate
| Molecular Formula | C14H13ClN2S2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.02087 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 3947-67-9 |
|---|---|
| SMILES | CSC(=NC1=CN=CC=C1)SCC2=CC=CC=C2Cl |
| InChIKey | DCBYRNWJPOOCQW-UHFFFAOYSA-N |
Product Overview
(2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate (CAS 3947-67-9), with molecular formula C14H13ClN2S2 and molecular weight 308.02 g/mol. IUPAC: 1-[(2-chlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
Property Insights of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 4.5 indicates that (2-Chlorophenyl)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-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate has 0 hydrogen bond donor(s) and 4 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 (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The CAS number of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is 3947-67-9.
What is the molecular formula of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is C14H13ClN2S2.
What is the molecular weight of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate is 308.02 g/mol.
Where can I buy (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (2-Chlorophenyl)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-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2-Chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.