5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
TL;DR: 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one (CAS 64273-23-0) 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.
5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-one
Also Known As: 5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-one, 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 64273-23-0 |
|---|---|
| SMILES | C1C(=NNC(=O)S1)C2=CC=CC=C2 |
| InChIKey | KSGZAADBLLQLIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one (CAS 64273-23-0), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-one.
Chemical Property Profile of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
Property Insights of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one. Following Lipinski's Rule of Five, 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one 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 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one?
The CAS number of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one is 64273-23-0.
What is the molecular formula of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one?
The molecular formula of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one is C9H8N2OS.
What is the molecular weight of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one?
The molecular weight of 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one is 192.04 g/mol.
Where can I buy 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one?
You can request a quote for 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.