![[(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid structure](/static/products/4971/497174-93-3.webp)
[(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid
TL;DR: [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid (CAS 497174-93-3) is a chemical compound with molecular formula C9H9N3O2S2 and molecular weight 255.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: BUTTPARK 14\07-39, [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid, 2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid, 2-((4-Methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C9H9N3O2S2 |
|---|---|
| Molecular Weight | 255.01 g/mol |
| LogP | 1.7203 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.01363 |
| Heavy Atoms | 16 |
| Complexity | 492.8321 |
Chemical Identifiers
| CAS Number | 497174-93-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)O)C2=CC=CS2 |
Product Overview
[(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid (CAS 497174-93-3), with molecular formula C9H9N3O2S2 and molecular weight 255.01 g/mol. IUPAC: 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid
Property Insights of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid
The XLogP value of 1.7203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Methyl-5-thien-2-yl-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 [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 5 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-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The CAS number of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid is 497174-93-3.
What is the molecular formula of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The molecular formula of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid is C9H9N3O2S2.
What is the molecular weight of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
The molecular weight of [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid is 255.01 g/mol.
Where can I buy [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
You can request a quote for [(4-Methyl-5-thien-2-yl-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 [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-Methyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.