![[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid structure](/static/products/3711/371126-60-2.webp)
[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
TL;DR: [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid (CAS 371126-60-2) is a chemical compound with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: 2-Butyrylthiazolin, [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid, CHEMBRDG-BB7433700, 2-((5-Ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, CHEMBRDG-BB 7433700
| Molecular Formula | C6H9N3O2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.04155 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 371126-60-2 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC(=O)O |
| InChIKey | AHIZVWLSIUZYEI-UHFFFAOYSA-N |
Product Overview
[(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid (CAS 371126-60-2), with molecular formula C6H9N3O2S and molecular weight 187.04 g/mol. IUPAC: 2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
Property Insights of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic 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
Frequently Asked Questions
What is the CAS number of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The CAS number of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid is 371126-60-2.
What is the molecular formula of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The molecular formula of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid is C6H9N3O2S.
What is the molecular weight of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The molecular weight of [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid is 187.04 g/mol.
Where can I buy [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid?
You can request a quote for [(3-ethyl-1H-1,2,4-triazol-5-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 [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-ethyl-1H-1,2,4-triazol-5-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.