4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)
TL;DR: 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) (CAS 16796-28-4) is a chemical compound with molecular formula C16H10N4O4S and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-oxido-3-phenyloxadiazol-3-ium-4-yl)sulfanyl-3-phenyloxadiazol-3-ium-5-olate
Also Known As: 4,4'-thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate), 4,4'-sulfanediylbis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate), 4-(5-oxido-3-phenyloxadiazol-3-ium-4-yl)sulfanyl-3-phenyloxadiazol-3-ium-5-olate
| Molecular Formula | C16H10N4O4S |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 0.5144 |
| Topological Polar Surface Area | 105.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.04227 |
| Heavy Atoms | 25 |
| Complexity | 919.9188 |
Chemical Identifiers
| CAS Number | 16796-28-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)[N+]2=NOC(=C2SC3=C(ON=[N+]3C4=CC=CC=C4)[O-])[O-] |
Product Overview
4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) (CAS 16796-28-4), with molecular formula C16H10N4O4S and molecular weight 354.04 g/mol. IUPAC: 4-(5-oxido-3-phenyloxadiazol-3-ium-4-yl)sulfanyl-3-phenyloxadiazol-3-ium-5-olate.
Chemical Property Profile of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)
Property Insights of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)
The XLogP value of 0.5144 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate). The TPSA of 105.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate). Following Lipinski's Rule of Five, 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) has 0 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 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)?
The CAS number of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) is 16796-28-4.
What is the molecular formula of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)?
The molecular formula of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) is C16H10N4O4S.
What is the molecular weight of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)?
The molecular weight of 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) is 354.04 g/mol.
Where can I buy 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)?
You can request a quote for 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Thiobis(3-phenyl-1,2,3-oxadiazol-3-ium-5-olate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.