![[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid structure](/static/products/2008/200815-83-4.webp)
[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
TL;DR: [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid (CAS 200815-83-4) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid|BAS 02071229|(5-Methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid|2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid|Acetic acid, [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-|2-((5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|AG-690/40751304|[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-(5-methyl-4-phenyl-1,2,4-triazol-3-ylthio)acetic acid|(5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thioacetic Acid|(5-methyl-4-phenyl-4 h-[1,2,4]triazol-3-ylsulfanyl)-acetic acid|(5-Methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid|2-((5-Methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)aceticacid|MFCD02227063|ALBB-024574|EN300-06800
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.75242 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 524.76776 |
Chemical Identifiers
| CAS Number | 200815-83-4 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)O |
Product Overview
[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid (CAS 200815-83-4), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
Property Insights of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
The XLogP value of 1.75242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid has 1 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 [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The CAS number of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid is 200815-83-4.
What is the molecular formula of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The molecular formula of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid is C11H11N3O2S.
What is the molecular weight of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The molecular weight of [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid is 249.06 g/mol.
Where can I buy [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
You can request a quote for [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.