Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate
TL;DR: Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 39479-71-5) is a chemical compound with molecular formula C17H18Cl2N2S2 and molecular weight 384.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-butyl-3-pyridinyl)-1-(3,4-dichlorophenyl)sulfanyl-1-methylsulfanylmethanimine
Also Known As: Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate, 3,4-dichlorophenyl methyl(2-butylpyridin-3-yl)carbonodithioimidate, Carbonimidodithioic acid, 3-pyridinyl-, butyl (3,4-dichlorophenyl)methyl ester, N-(2-butylpyridin-3-yl)-1-(3,4-dichlorophenyl)sulfanyl-1-methylsulfanylmethanimine
| Molecular Formula | C17H18Cl2N2S2 |
|---|---|
| Molecular Weight | 384.03 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 384.02884 |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 39479-71-5 |
|---|---|
| SMILES | CCCCC1=C(C=CC=N1)N=C(SC)SC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | LRXGSIOYNNHCPZ-UHFFFAOYSA-N |
Product Overview
Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate (CAS 39479-71-5), with molecular formula C17H18Cl2N2S2 and molecular weight 384.03 g/mol. IUPAC: N-(2-butyl-3-pyridinyl)-1-(3,4-dichlorophenyl)sulfanyl-1-methylsulfanylmethanimine.
Chemical Property Profile of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate
Property Insights of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate
The XLogP value of 6.9 indicates that Butyl (3,4-dichlorophenyl)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 (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate. Following Lipinski's Rule of Five, Butyl (3,4-dichlorophenyl)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 (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The CAS number of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate is 39479-71-5.
What is the molecular formula of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular formula of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate is C17H18Cl2N2S2.
What is the molecular weight of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
The molecular weight of Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate is 384.03 g/mol.
Where can I buy Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
You can request a quote for Butyl (3,4-dichlorophenyl)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 (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (3,4-dichlorophenyl)methyl 3-pyridinylcarbonimidodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.