![(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol structure](/static/products/1268/126808-96-6.webp)
(5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol
TL;DR: (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol (CAS 126808-96-6) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06229 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[hydroxy(phenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol, (5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol, 3-[hydroxy(phenyl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione, BAS 04849991, (4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol
Technical Specifications
| Molecular Formula | C10H11N3OS |
| Molecular Weight | 221.06229 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.06229 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | CN1C(=NNC1=S)C(C2=CC=CC=C2)O |
| InChIKey | PUHARJNOBAHWFF-UHFFFAOYSA-N |
Chemical Property Profile of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol
Property Insights of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol. Following Lipinski's Rule of Five, (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?
The CAS number of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol is 126808-96-6.
What is the molecular formula of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?
The molecular formula of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol is C10H11N3OS.
What is the molecular weight of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?
The molecular weight of (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol is 221.06229 g/mol.
Where can I buy (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?
You can request a quote for (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol?
Yes, CoreyChem provides custom synthesis services for (5-Mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-phenyl-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.