![isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/4960/496033-64-8.webp)
isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 496033-64-8) is a chemical compound with molecular formula C7H12N4O2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: AS-871/41862241, isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, methylethyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate, propan-2-yl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, propan-2-yl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C7H12N4O2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 0.4306 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.0681 |
| Heavy Atoms | 14 |
| Complexity | 312.39337 |
Chemical Identifiers
| CAS Number | 496033-64-8 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NNC(=N1)N |
Product Overview
isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 496033-64-8), with molecular formula C7H12N4O2S and molecular weight 216.07 g/mol. IUPAC: propan-2-yl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of 0.4306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate has 2 hydrogen bond donor(s) and 6 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 isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is 496033-64-8.
What is the molecular formula of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is C7H12N4O2S.
What is the molecular weight of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate is 216.07 g/mol.
Where can I buy isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.