4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate
TL;DR: 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate (CAS 7232-58-8) is a chemical compound with molecular formula C4H2N3O3S- and molecular weight 171.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1,3-trioxo-1,2,6-thiadiazin-4-ylidene)methylideneazanide
Also Known As: 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate, 4-Cyano-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-olate
| Molecular Formula | C4H2N3O3S- |
|---|---|
| Molecular Weight | 171.98 g/mol |
| LogP | -1.4027 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.98169 |
| Heavy Atoms | 11 |
| Complexity | 373.38647 |
Chemical Identifiers
| CAS Number | 7232-58-8 |
|---|---|
| SMILES | C1=NS(=O)(=O)NC(=O)C1=C=[N-] |
Product Overview
4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate (CAS 7232-58-8), with molecular formula C4H2N3O3S- and molecular weight 171.98 g/mol. IUPAC: (1,1,3-trioxo-1,2,6-thiadiazin-4-ylidene)methylideneazanide.
Chemical Property Profile of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate
Property Insights of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate
The XLogP value of -1.4027 indicates that 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate. Following Lipinski's Rule of Five, 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate has 1 hydrogen bond donor(s) and 3 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 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate?
The CAS number of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate is 7232-58-8.
What is the molecular formula of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate?
The molecular formula of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate is C4H2N3O3S-.
What is the molecular weight of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate?
The molecular weight of 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate is 171.98 g/mol.
Where can I buy 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate?
You can request a quote for 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-1,1-dioxo-2H-1,2,6-thiadiazin-3-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.