6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate
TL;DR: 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate (CAS 887572-43-2) is a chemical compound with molecular formula C13H12ClN3S2 and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3-phenylpyridazin-4-yl) N,N-dimethylcarbamodithioate
Also Known As: 6-chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate, AE-406/41055835, (6-chloro-3-phenylpyridazin-4-yl) N,N-dimethylcarbamodithioate
| Molecular Formula | C13H12ClN3S2 |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 3.7356 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0161 |
| Heavy Atoms | 19 |
| Complexity | 587.69714 |
Chemical Identifiers
| CAS Number | 887572-43-2 |
|---|---|
| SMILES | CN(C)C(=S)SC1=CC(=NN=C1C2=CC=CC=C2)Cl |
Product Overview
6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate (CAS 887572-43-2), with molecular formula C13H12ClN3S2 and molecular weight 309.02 g/mol. IUPAC: (6-chloro-3-phenylpyridazin-4-yl) N,N-dimethylcarbamodithioate.
Chemical Property Profile of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate
Property Insights of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate
The XLogP value of 3.7356 indicates that 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate 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 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate?
The CAS number of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate is 887572-43-2.
What is the molecular formula of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate?
The molecular formula of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate is C13H12ClN3S2.
What is the molecular weight of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate?
The molecular weight of 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate is 309.02 g/mol.
Where can I buy 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate?
You can request a quote for 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-phenylpyridazin-4-yl dimethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.