![{[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid structure](/static/products/1089/108902-83-6.webp)
{[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid
TL;DR: {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid (CAS 108902-83-6) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: BAS 01918453, {[4-METHYL-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID, 2-((4-Methyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 4-(4-methylphenoxy)phenylhydrazinehydrochloride, (4-Methyl-5-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.96722 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 580.45154 |
Chemical Identifiers
| CAS Number | 108902-83-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)O |
Product Overview
{[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid (CAS 108902-83-6), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid
Property Insights of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid
The XLogP value of 1.96722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid. Following Lipinski's Rule of Five, {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}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 {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid?
The CAS number of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid is 108902-83-6.
What is the molecular formula of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid?
The molecular formula of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid is C12H13N3O2S.
What is the molecular weight of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid?
The molecular weight of {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid is 263.07 g/mol.
Where can I buy {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid?
You can request a quote for {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for {[4-Methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.