(4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
TL;DR: (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate (CAS 394-74-1) is a chemical compound with molecular formula C19H23ClN2S2 and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine
Also Known As: KST-1A4522, (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate, methylhexyl-3-pyridinylcarbonimidodithioate, 4-Chlorobenzyl hexyl 3-pyridinylcarbonodithioimidate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate
| Molecular Formula | C19H23ClN2S2 |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 378.09912 |
| Heavy Atoms | 24 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 394-74-1 |
|---|---|
| SMILES | CCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl |
| InChIKey | ZVQFZXSPOXFKDW-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate (CAS 394-74-1), with molecular formula C19H23ClN2S2 and molecular weight 378.10 g/mol. IUPAC: 1-[(4-chlorophenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine.
Chemical Property Profile of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
Property Insights of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate
The XLogP value of 7.0 indicates that (4-Chlorophenyl)methyl hexyl 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 hexyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl hexyl 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 hexyl 3-pyridinylcarbonimidodithioate?
The CAS number of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is 394-74-1.
What is the molecular formula of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
The molecular formula of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is C19H23ClN2S2.
What is the molecular weight of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
The molecular weight of (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate is 378.10 g/mol.
Where can I buy (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate?
You can request a quote for (4-Chlorophenyl)methyl hexyl 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 hexyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl hexyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.