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Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate
TL;DR: Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate (CAS 75621-68-0) is a chemical compound with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate
Also Known As: methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate, methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate, methyl [(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate, methyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-ylthio)acetate, methyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]acetate
| Molecular Formula | C6H7N3O4S |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.01573 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 75621-68-0 |
|---|---|
| SMILES | COC(=O)CSC1=NNC(=O)NC1=O |
| InChIKey | VRFCSDSVVDDINV-UHFFFAOYSA-N |
Product Overview
Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate (CAS 75621-68-0), with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol. IUPAC: methyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetate.
Chemical Property Profile of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate
Property Insights of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate
The XLogP value of -0.1 indicates that Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Methyl [(3,5-dihydroxy-1,2,4-triazin-6-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 [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate?
The CAS number of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate is 75621-68-0.
What is the molecular formula of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate?
The molecular formula of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate is C6H7N3O4S.
What is the molecular weight of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate?
The molecular weight of Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate is 217.02 g/mol.
Where can I buy Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate?
You can request a quote for Methyl [(3,5-dihydroxy-1,2,4-triazin-6-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 [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.