3,5-Dichloro-4H-1,2,6-thiadiazin-4-one
TL;DR: 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one (CAS 54865-22-4) is a chemical compound with molecular formula C3Cl2N2OS and molecular weight 181.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-1,2,6-thiadiazin-4-one
Also Known As: 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one, 3,5-dichloro-1,2,6-thiadiazin-4-one, dichloro-4H-1,2,6-thiadiazin-4-one, NCI60_004609, 4H-1,2,6-Thiadiazin-4-one, 3,5-dichloro-
| Molecular Formula | C3Cl2N2OS |
|---|---|
| Molecular Weight | 181.91 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.91084 |
| Heavy Atoms | 9 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 54865-22-4 |
|---|---|
| SMILES | C1(=O)C(=NSN=C1Cl)Cl |
| InChIKey | ZKHPZXACANWNKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dichloro-4H-1,2,6-thiadiazin-4-one (CAS 54865-22-4), with molecular formula C3Cl2N2OS and molecular weight 181.91 g/mol. IUPAC: 3,5-dichloro-1,2,6-thiadiazin-4-one.
Chemical Property Profile of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one
Property Insights of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one. Following Lipinski's Rule of Five, 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one has 0 hydrogen bond donor(s) and 4 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 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one?
The CAS number of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one is 54865-22-4.
What is the molecular formula of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one?
The molecular formula of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one is C3Cl2N2OS.
What is the molecular weight of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one?
The molecular weight of 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one is 181.91 g/mol.
Where can I buy 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one?
You can request a quote for 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-4H-1,2,6-thiadiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.