![methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate structure](/static/products/4447/444791-45-1.webp)
methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
TL;DR: methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 444791-45-1) is a chemical compound with molecular formula C5H8N4O2S and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: SDCCGMLS-0065775.P001, methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, methyl 2-(5-amino-1H-1,2,4-triazol-3-ylthio)acetate, methyl 2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetate
| Molecular Formula | C5H8N4O2S |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | -0.348 |
| Topological Polar Surface Area | 93.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.0368 |
| Heavy Atoms | 12 |
| Complexity | 274.16687 |
Chemical Identifiers
| CAS Number | 444791-45-1 |
|---|---|
| SMILES | COC(=O)CSC1=NNC(=N1)N |
Product Overview
methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate (CAS 444791-45-1), with molecular formula C5H8N4O2S and molecular weight 188.04 g/mol. IUPAC: methyl 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
Property Insights of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
The XLogP value of -0.348 indicates that methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.89 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, methyl 2-[(5-amino-4H-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 methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The CAS number of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 444791-45-1.
What is the molecular formula of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular formula of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is C5H8N4O2S.
What is the molecular weight of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
The molecular weight of methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate is 188.04 g/mol.
Where can I buy methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
You can request a quote for methyl 2-[(5-amino-4H-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 methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.