3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
TL;DR: 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 1642872-21-6) is a chemical compound with molecular formula C15H12N4OS and molecular weight 296.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: AB00090953-01, (E)-3-(((3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-{[(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol, 3-(((3-PHENYL-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL, 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C15H12N4OS |
| Molecular Weight | 296.07318 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.07318 Da |
| Heavy Atoms | 21 |
| Complexity | 445.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
| InChIKey | YTDCANSRQNUQRX-MHWRWJLKSA-N |
Chemical Property Profile of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
Property Insights of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. Following Lipinski's Rule of Five, 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol 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 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The CAS number of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 1642872-21-6.
What is the molecular formula of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular formula of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is C15H12N4OS.
What is the molecular weight of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular weight of 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 296.07318 g/mol.
Where can I buy 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
You can request a quote for 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
Yes, CoreyChem provides custom synthesis services for 3-(((3-Phenyl-5-sulfanyl-4H-1,2,4-triazol-4-YL)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.