![4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one structure](/static/products/1126/112617-25-1.webp)
4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
TL;DR: 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CAS 112617-25-1) is a chemical compound with molecular formula C9H7N5OS and molecular weight 233.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Also Known As: 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one, 4-amino-1-mercapto-[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-amino-1-sulfanyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one, 4-AMINO-1-SULFANYL-4H,5H-[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5-ONE, 4-amino-1-thioxo-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Technical Specifications
| Molecular Formula | C9H7N5OS |
| Molecular Weight | 233.03712 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.03712 Da |
| Heavy Atoms | 16 |
| Complexity | 395.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C3=NNC(=S)N23)N |
| InChIKey | QCXPELKEKFWXLG-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Property Insights of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one. Following Lipinski's Rule of Five, 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The CAS number of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 112617-25-1.
What is the molecular formula of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular formula of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is C9H7N5OS.
What is the molecular weight of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The molecular weight of 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is 233.03712 g/mol.
Where can I buy 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
You can request a quote for 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 4-amino-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.