6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-
TL;DR: 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- (CAS 33406-07-4) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4,5-dihydro-1,2,5-oxadiazine-6-thione
Also Known As: 3-phenyl-4H-1,2,5-oxadiazine-6(5H)-thione, 3-phenyl-4,5-dihydro-1,2,5-oxadiazine-6-thione, 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-, 3-Phenyl-4,5-dihydro-6H-1,2,5-oxadiazine-6-thione, 3-phenyl-5,6-dihydro-4H-1,2,5-oxadiazine-6-thione
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.2954 |
| Topological Polar Surface Area | 33.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 347.89215 |
Chemical Identifiers
| CAS Number | 33406-07-4 |
|---|---|
| SMILES | C1C(=NOC(=S)N1)C2=CC=CC=C2 |
Product Overview
6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- (CAS 33406-07-4), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 3-phenyl-4,5-dihydro-1,2,5-oxadiazine-6-thione.
Chemical Property Profile of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-
Property Insights of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-
The XLogP value of 1.2954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-. With a topological polar surface area (TPSA) of 33.62 Ų, 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- 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 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-?
The CAS number of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- is 33406-07-4.
What is the molecular formula of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-?
The molecular formula of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- is C9H8N2OS.
What is the molecular weight of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-?
The molecular weight of 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- is 192.04 g/mol.
Where can I buy 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-?
You can request a quote for 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 6H-1,2,5-Oxadiazine-6-thione, 4,5-dihydro-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.