3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
TL;DR: 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 488861-91-2) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-3-(((3-mercapto-5-(o-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)phenol, 3-(((3-MERCAPTO-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)PHENOL, 3-{(1E)-2-[5-(2-methylphenyl)-3-sulfanyl(1,2,4-triazol-4-yl)]-2-azavinyl}pheno l, 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-hydroxyphenyl)methylidene]amino}-5-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14N4OS |
|---|---|
| Molecular Weight | 310.09 g/mol |
| LogP | 3.50391 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08884 |
| Heavy Atoms | 22 |
| Complexity | 894.9115 |
Chemical Identifiers
| CAS Number | 488861-91-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O |
Product Overview
3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol (CAS 488861-91-2), with molecular formula C16H14N4OS and molecular weight 310.09 g/mol. IUPAC: 4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
Property Insights of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol
The XLogP value of 3.50391 indicates that 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol. Following Lipinski's Rule of Five, 3-(((3-Mercapto-5-(2-methylphenyl)-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
Frequently Asked Questions
What is the CAS number of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The CAS number of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 488861-91-2.
What is the molecular formula of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular formula of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is C16H14N4OS.
What is the molecular weight of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
The molecular weight of 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol is 310.09 g/mol.
Where can I buy 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
You can request a quote for 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(((3-Mercapto-5-(2-methylphenyl)-4H-1,2,4-triazol-4-YL)imino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.