![2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one structure](/static/products/7280/728034-98-8.webp)
2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
TL;DR: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one (CAS 728034-98-8) is a chemical compound with molecular formula C12H11N5OS and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
Also Known As: A3876/0164749, 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one, 2-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one, 2-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one, 2-[(4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one
| Molecular Formula | C12H11N5OS |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 1.23589 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.06842 |
| Heavy Atoms | 19 |
| Complexity | 860.1725 |
Chemical Identifiers
| CAS Number | 728034-98-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)CN2C(=O)C3=CC=CC=C3C=N2 |
Product Overview
2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one (CAS 728034-98-8), with molecular formula C12H11N5OS and molecular weight 273.07 g/mol. IUPAC: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one.
Chemical Property Profile of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
Property Insights of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
The XLogP value of 1.23589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one. Following Lipinski's Rule of Five, 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one 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 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one?
The CAS number of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one is 728034-98-8.
What is the molecular formula of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one?
The molecular formula of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one is C12H11N5OS.
What is the molecular weight of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one?
The molecular weight of 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one is 273.07 g/mol.
Where can I buy 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one?
You can request a quote for 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.