2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
TL;DR: 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid (CAS 81102-57-0) is a chemical compound with molecular formula C13H13N3S and molecular weight 243.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-2-pyridazin-3-ylethanethioamide
Also Known As: alpha-(4-Methylphenyl)-3-pyridazineethanethioamide, 3-Pyridazineethanethioamide, alpha-(4-methylphenyl)-, 2-(pyridazin-3-yl)-2-(p-tolyl)ethanethioamide, 2-(4-methylphenyl)-2-pyridazin-3-ylethanethioamide, (4-Methylphenyl)(pyridazin-3-yl)ethanimidothioic acid
| Molecular Formula | C13H13N3S |
|---|---|
| Molecular Weight | 243.08 g/mol |
| LogP | 2.20302 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08302 |
| Heavy Atoms | 17 |
| Complexity | 507.9476 |
Chemical Identifiers
| CAS Number | 81102-57-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C2=NN=CC=C2)C(=S)N |
Product Overview
2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid (CAS 81102-57-0), with molecular formula C13H13N3S and molecular weight 243.08 g/mol. IUPAC: 2-(4-methylphenyl)-2-pyridazin-3-ylethanethioamide.
Chemical Property Profile of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
Property Insights of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
The XLogP value of 2.20302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid. With a topological polar surface area (TPSA) of 51.8 Ų, 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-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-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The CAS number of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is 81102-57-0.
What is the molecular formula of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The molecular formula of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is C13H13N3S.
What is the molecular weight of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
The molecular weight of 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid is 243.08 g/mol.
Where can I buy 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
You can request a quote for 2-(4-Methylphenyl)-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-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)-2-(pyridazin-3-yl)ethanimidothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.