O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate
TL;DR: O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate (CAS 39484-05-4) is a chemical compound with molecular formula C17H18Cl2N2OS and molecular weight 368.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(3,4-dichlorophenyl)methyl] N-(2-butyl-3-pyridinyl)carbamothioate
Also Known As: O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate, N-3-Pyridyl-O-butyl-S-3,4-dichlorobenzyl imidothiocarbonate, s-(3,4-dichlorobenzyl)(2-butylpyridin-3-yl)carbamothioate, Carbonimidothioic acid, 3-pyridinyl-, O-butyl S-((3,4-dichlorophenyl)methyl) ester, 3,4-dichlorophenyl methyl(2-butylpyridin-3-yl)carbonodithioimidate
| Molecular Formula | C17H18Cl2N2OS |
|---|---|
| Molecular Weight | 368.05 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.0517 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 39484-05-4 |
|---|---|
| SMILES | CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | UJCBOPLWWDKGLE-UHFFFAOYSA-N |
Product Overview
O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate (CAS 39484-05-4), with molecular formula C17H18Cl2N2OS and molecular weight 368.05 g/mol. IUPAC: S-[(3,4-dichlorophenyl)methyl] N-(2-butyl-3-pyridinyl)carbamothioate.
Chemical Property Profile of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate
Property Insights of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate
The XLogP value of 5.5 indicates that O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate. Following Lipinski's Rule of Five, O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate?
The CAS number of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate is 39484-05-4.
What is the molecular formula of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate?
The molecular formula of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate is C17H18Cl2N2OS.
What is the molecular weight of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate?
The molecular weight of O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate is 368.05 g/mol.
Where can I buy O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate?
You can request a quote for O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl S-((3,4-dichlorophenyl)methyl) 3-pyridinylcarbonimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.