3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide
TL;DR: 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide (CAS 57116-33-3) is a chemical compound with molecular formula C3H3N5O3S and molecular weight 189.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dioxo-4H-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine
Also Known As: 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide, 5,5-dioxo-3H-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-ami, {3H-[1,2,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine,} 5,5-dioxide, 3H-[1,2,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7(6H)-imine 5,5-dioxide, 3H-[1,2,5]Oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine, 5,5-dioxide
| Molecular Formula | C3H3N5O3S |
|---|---|
| Molecular Weight | 189.00 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.99567 |
| Heavy Atoms | 12 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 57116-33-3 |
|---|---|
| SMILES | C12=NON=C1NS(=O)(=O)N=C2N |
| InChIKey | SICZNTHLQDYXGR-UHFFFAOYSA-N |
Product Overview
3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide (CAS 57116-33-3), with molecular formula C3H3N5O3S and molecular weight 189.00 g/mol. IUPAC: 5,5-dioxo-4H-[1,2,5]oxadiazolo[3,4-c][1,2,6]thiadiazin-7-amine.
Chemical Property Profile of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide
Property Insights of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide
The XLogP value of -1.7 indicates that 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide. Following Lipinski's Rule of Five, 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide has 2 hydrogen bond donor(s) and 7 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 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide?
The CAS number of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide is 57116-33-3.
What is the molecular formula of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide?
The molecular formula of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide is C3H3N5O3S.
What is the molecular weight of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide?
The molecular weight of 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide is 189.00 g/mol.
Where can I buy 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide?
You can request a quote for 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3H-(1,2,5)Oxadiazolo(3,4-c)(1,2,6)thiadiazin-7(6H)-imine 5,5-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.