3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-
TL;DR: 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- (CAS 81102-56-9) is a chemical compound with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-pyridazin-3-ylethanethioamide
Also Known As: alpha-(4-Chlorophenyl)-3-pyridazineethanethioamide, 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-, 2-(4-chlorophenyl)-2-pyridazin-3-ylethanethioamide, (4-Chlorophenyl)(pyridazin-3-yl)ethanimidothioic acid, 2-(4-Chlorophenyl)-2-(pyridazin-3-yl)ethanimidothioic acid
| Molecular Formula | C12H10ClN3S |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 2.548 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.02838 |
| Heavy Atoms | 17 |
| Complexity | 513.03375 |
Chemical Identifiers
| CAS Number | 81102-56-9 |
|---|---|
| SMILES | C1=CC(=NN=C1)C(C2=CC=C(C=C2)Cl)C(=S)N |
Product Overview
3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- (CAS 81102-56-9), with molecular formula C12H10ClN3S and molecular weight 263.03 g/mol. IUPAC: 2-(4-chlorophenyl)-2-pyridazin-3-ylethanethioamide.
Chemical Property Profile of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-
Property Insights of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-
The XLogP value of 2.548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- 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 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-?
The CAS number of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- is 81102-56-9.
What is the molecular formula of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-?
The molecular formula of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- is C12H10ClN3S.
What is the molecular weight of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-?
The molecular weight of 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- is 263.03 g/mol.
Where can I buy 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-?
You can request a quote for 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridazineethanethioamide, alpha-(4-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.