![2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid structure](/static/products/900/90090-56-5.png)
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
TL;DR: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid (CAS 90090-56-5) is a chemical compound with molecular formula C5H5N3O4S and molecular weight 203.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
Also Known As: NCIStruc1_000775, NCIStruc2_000643, KST-1A8786, 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid, BAS 01150411
| Molecular Formula | C5H5N3O4S |
|---|---|
| Molecular Weight | 203.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.00008 |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 90090-56-5 |
|---|---|
| SMILES | C(C(=O)O)SC1=NNC(=O)NC1=O |
| InChIKey | DIALFHUPRSIJKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid (CAS 90090-56-5), with molecular formula C5H5N3O4S and molecular weight 203.00 g/mol. IUPAC: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
Property Insights of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid
The XLogP value of -0.4 indicates that 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid has 3 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 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid?
The CAS number of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid is 90090-56-5.
What is the molecular formula of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid is C5H5N3O4S.
What is the molecular weight of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid is 203.00 g/mol.
Where can I buy 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.