![2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid structure](/static/products/7337/733795-49-8.webp)
2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid
TL;DR: 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid (CAS 733795-49-8) is a chemical compound with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid
Also Known As: 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid, 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid, 2-(((4H-1,2,4-Triazol-3-yl)thio)methyl)benzoic acid, 2-(4H-1,2,4-Triazol-3-ylthio)methylbenzoic Acid, 2-(((4H-1,2,4-Triazol-3-yl)thio)methyl)benzoicacid
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 1.7952 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 484.56918 |
Chemical Identifiers
| CAS Number | 733795-49-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NN2)C(=O)O |
Product Overview
2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid (CAS 733795-49-8), with molecular formula C10H9N3O2S and molecular weight 235.04 g/mol. IUPAC: 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoic acid.
Chemical Property Profile of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid
Property Insights of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid
The XLogP value of 1.7952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid 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 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid?
The CAS number of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid is 733795-49-8.
What is the molecular formula of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid?
The molecular formula of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid is C10H9N3O2S.
What is the molecular weight of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid?
The molecular weight of 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid is 235.04 g/mol.
Where can I buy 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid?
You can request a quote for 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4H-1,2,4-triazol-3-ylthio)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.