2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
TL;DR: 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid (CAS 81102-59-2) is a chemical compound with molecular formula C12H9Cl2N3S and molecular weight 296.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylethanethioamide
Also Known As: alpha-(3,4-Dichlorophenyl)-3-pyridazineethanethioamide, 3-Pyridazineethanethioamide, alpha-(3,4-dichlorophenyl)-, 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylethanethioamide, 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid, (3,4-Dichlorophenyl)(pyridazin-3-yl)ethanimidothioic acid
| Molecular Formula | C12H9Cl2N3S |
|---|---|
| Molecular Weight | 296.99 g/mol |
| LogP | 3.2014 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.9894 |
| Heavy Atoms | 18 |
| Complexity | 574.79016 |
Chemical Identifiers
| CAS Number | 81102-59-2 |
|---|---|
| SMILES | C1=CC(=NN=C1)C(C2=CC(=C(C=C2)Cl)Cl)C(=S)N |
Product Overview
2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid (CAS 81102-59-2), with molecular formula C12H9Cl2N3S and molecular weight 296.99 g/mol. IUPAC: 2-(3,4-dichlorophenyl)-2-pyridazin-3-ylethanethioamide.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
Property Insights of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
The XLogP value of 3.2014 indicates that 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid has 1 hydrogen bond donor(s) and 3 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 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The CAS number of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is 81102-59-2.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is C12H9Cl2N3S.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is 296.99 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.