2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one
TL;DR: 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one (CAS 131842-34-7) is a chemical compound with molecular formula C10H7N5OS and molecular weight 245.03712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylidene-3-(1H-1,2,4-triazol-5-yl)-1H-quinazolin-4-one
Also Known As: 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one, 2-mercapto-3-(4H-1,2,4-triazol-3-yl)quinazolin-4(3H)-one, 2-sulfanylidene-3-(1H-1,2,4-triazol-5-yl)-1H-quinazolin-4-one, 2-sulfanylidene-3-(1H-1,2,4-triazol-3-yl)-1H-quinazolin-4-one, 2,3-Dihydro-2-thioxo-3-(1H-1,2,4-triazol-5-yl)-4(1H)-quinazolinone
Technical Specifications
| Molecular Formula | C10H7N5OS |
| Molecular Weight | 245.03712 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.03712 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=NC=NN3 |
| InChIKey | WSDBZJYXJRENKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one
Property Insights of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one. Following Lipinski's Rule of Five, 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-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 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one?
The CAS number of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one is 131842-34-7.
What is the molecular formula of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one?
The molecular formula of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one is C10H7N5OS.
What is the molecular weight of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one?
The molecular weight of 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one is 245.03712 g/mol.
Where can I buy 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one?
You can request a quote for 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-sulfanyl-3-(4H-1,2,4-triazol-3-yl)-3,4-dihydroquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.