Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate
TL;DR: Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 3947-40-8) 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.
1-butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
Also Known As: Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate, butyl 4-chlorobenzyl pyridin-3-ylcarbonodithioimidate, Carbonimidodithioic acid, 3-pyridinyl-, butyl(4-chlorophenyl)methyl ester, 1-butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin, 1-butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
| Molecular Formula | C17H19ClN2S2 |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.0678 |
| Heavy Atoms | 22 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 3947-40-8 |
|---|---|
| SMILES | CCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)Cl |
| InChIKey | RBIVAOYXFGTUBH-UHFFFAOYSA-N |
Product Overview
Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 3947-40-8), with molecular formula C17H19ClN2S2 and molecular weight 350.07 g/mol. IUPAC: 1-butylsulfanyl-1-[(4-chlorophenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine.
Chemical Property Profile of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate
Property Insights of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 6.0 indicates that Butyl(4-chlorophenyl)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 Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, Butyl(4-chlorophenyl)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 Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The CAS number of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate is 3947-40-8.
What is the molecular formula of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate is C17H19ClN2S2.
What is the molecular weight of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate is 350.07 g/mol.
Where can I buy Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for Butyl(4-chlorophenyl)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 Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Butyl(4-chlorophenyl)methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.