4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone
TL;DR: 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone (CAS 72039-20-4) is a chemical compound with molecular formula C7H10N2OS2 and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethylsulfanyl-2-methyl-5-sulfanylpyridazin-3-one
Also Known As: 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone, 4-ethylsulfanyl-2-methyl-5-sulfanylpyridazin-3-one, 4-(Ethylthio)-5-mercapto-2-methylpyridazin-3(2H)-one, 4-ethylsulfanyl-2-methyl-5-sulfanyl-pyridazin-3-one, 3(2H)-PYRIDAZINONE, 4-(ETHYLTHIO)-5-MERCAPTO-2-METHYL-
| Molecular Formula | C7H10N2OS2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02345 |
| Heavy Atoms | 12 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 72039-20-4 |
|---|---|
| SMILES | CCSC1=C(C=NN(C1=O)C)S |
| InChIKey | BAFJJQOVSYLDOO-UHFFFAOYSA-N |
Product Overview
4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone (CAS 72039-20-4), with molecular formula C7H10N2OS2 and molecular weight 202.02 g/mol. IUPAC: 4-ethylsulfanyl-2-methyl-5-sulfanylpyridazin-3-one.
Chemical Property Profile of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone
Property Insights of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 59.0 Ų, 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone has 1 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 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone?
The CAS number of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone is 72039-20-4.
What is the molecular formula of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone?
The molecular formula of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone is C7H10N2OS2.
What is the molecular weight of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone?
The molecular weight of 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone is 202.02 g/mol.
Where can I buy 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone?
You can request a quote for 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethylthio)-5-mercapto-2-methyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.