(E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid
TL;DR: (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid (CAS 150093-69-9) is a chemical compound with molecular formula C17H14N4O2S and molecular weight 338.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
Also Known As: (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid, 2-[[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic Acid, 2-[(E)-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoic acid, 2-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoic acid
Technical Specifications
| Molecular Formula | C17H14N4O2S |
| Molecular Weight | 338.08374 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08374 Da |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
| SMILES | CC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(=O)O |
| InChIKey | GPWBNBQYWSKDHT-VCHYOVAHSA-N |
Chemical Property Profile of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid
Property Insights of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid
The XLogP value of 3.2 indicates that (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid. Following Lipinski's Rule of Five, (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid?
The CAS number of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid is 150093-69-9.
What is the molecular formula of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid?
The molecular formula of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid is C17H14N4O2S.
What is the molecular weight of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid?
The molecular weight of (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid is 338.08374 g/mol.
Where can I buy (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid?
You can request a quote for (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-(((3-mercapto-5-(p-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.