3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
TL;DR: 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine (CAS 91675-75-1) is a chemical compound with molecular formula C6H10N4O3S and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
Also Known As: 3-[(Thiomorpholine 1,1-dioxide)-4-yl]sydnone imine-3-ium, 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
| Molecular Formula | C6H10N4O3S |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | -2.62983 |
| Topological Polar Surface Area | 92.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.04736 |
| Heavy Atoms | 14 |
| Complexity | 459.2661 |
Chemical Identifiers
| CAS Number | 91675-75-1 |
|---|---|
| SMILES | C1CS(=O)(=O)CCN1[N+]2=CC(=N)O[N-]2 |
Product Overview
3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine (CAS 91675-75-1), with molecular formula C6H10N4O3S and molecular weight 218.05 g/mol. IUPAC: 3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine.
Chemical Property Profile of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
Property Insights of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine
The XLogP value of -2.62983 indicates that 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine. Following Lipinski's Rule of Five, 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine has 1 hydrogen bond donor(s) and 5 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 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine?
The CAS number of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine is 91675-75-1.
What is the molecular formula of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine?
The molecular formula of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine is C6H10N4O3S.
What is the molecular weight of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine?
The molecular weight of 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine is 218.05 g/mol.
Where can I buy 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine?
You can request a quote for 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dioxo-1,4-thiazinan-4-yl)-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.