5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 122503-02-0) is a chemical compound with molecular formula C15H12N6S and molecular weight 308.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(benzotriazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(benzotriazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione, BB 0240620, AO-476/40105817, 5-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C15H12N6S |
| Molecular Weight | 308.0844 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.0844 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CN3C4=CC=CC=C4N=N3 |
| InChIKey | ZWZYEESDHOONDV-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol 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
What is the CAS number of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 122503-02-0.
What is the molecular formula of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C15H12N6S.
What is the molecular weight of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 308.0844 g/mol.
Where can I buy 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.