4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol
TL;DR: 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol (CAS 117839-88-0) is a chemical compound with molecular formula C14H11N3O2S and molecular weight 285.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,4-dihydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: Unsubstituted phenyl ring analog, 2, 3-hydroxy-4-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one, 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol, (4Z)-3-hydroxy-4-(4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one
Technical Specifications
| Molecular Formula | C14H11N3O2S |
| Molecular Weight | 285.0572 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0572 Da |
| Heavy Atoms | 20 |
| Complexity | 409.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=C(C=C(C=C3)O)O |
| InChIKey | IHJVYLCDCXJPSL-UHFFFAOYSA-N |
Chemical Property Profile of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol
Property Insights of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol. Following Lipinski's Rule of Five, 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol has 3 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-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol?
The CAS number of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol is 117839-88-0.
What is the molecular formula of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol?
The molecular formula of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol is C14H11N3O2S.
What is the molecular weight of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol?
The molecular weight of 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol is 285.0572 g/mol.
Where can I buy 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol?
You can request a quote for 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol?
Yes, CoreyChem provides custom synthesis services for 4-(5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.