4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
TL;DR: 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol (CAS 114252-51-6) is a chemical compound with molecular formula C5H9N3OS and molecular weight 159.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-propyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol, 5-Mercapto-4-propyl-4H-[1,2,4]triazol-3-ol, 4-propyl-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-propyl-5-thioxo-[1,2,4]triazolidin-3-one, G33329
Technical Specifications
| Molecular Formula | C5H9N3OS |
| Molecular Weight | 159.04663 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.04663 Da |
| Heavy Atoms | 10 |
| Complexity | 170.0 |
| SMILES | CCCN1C(=O)NNC1=S |
| InChIKey | GHCGODLOVBNJQV-UHFFFAOYSA-N |
Chemical Property Profile of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
Property Insights of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol. Following Lipinski's Rule of Five, 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol has 2 hydrogen bond donor(s) and 2 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-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol?
The CAS number of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol is 114252-51-6.
What is the molecular formula of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol?
The molecular formula of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol is C5H9N3OS.
What is the molecular weight of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol?
The molecular weight of 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol is 159.04663 g/mol.
Where can I buy 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol?
You can request a quote for 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol?
Yes, CoreyChem provides custom synthesis services for 4-propyl-5-sulfanyl-4H-1,2,4-triazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.