5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
TL;DR: 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one (CAS 87427-66-5) is a chemical compound with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
Also Known As: 5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one, 5-(4-chlorophenyl)-3H,6H-1,3,4-thiadiazin-2-one, 2H-1,3,4-Thiadiazin-2-one, 5-(4-chlorophenyl)-3,6-dihydro-, 5-(4-Chloro-phenyl)-3,6-dihydro-[1,3,4]thiadiazin-2-one, 5-(4-Chlorophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
| Molecular Formula | C9H7ClN2OS |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.99677 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 87427-66-5 |
|---|---|
| SMILES | C1C(=NNC(=O)S1)C2=CC=C(C=C2)Cl |
| InChIKey | MEUGLUVBMSAZAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one (CAS 87427-66-5), with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol. IUPAC: 5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one.
Chemical Property Profile of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
Property Insights of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)-3,6-dihydro-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-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The CAS number of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one is 87427-66-5.
What is the molecular formula of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The molecular formula of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one is C9H7ClN2OS.
What is the molecular weight of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
The molecular weight of 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one is 226.00 g/mol.
Where can I buy 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
You can request a quote for 5-(4-Chlorophenyl)-3,6-dihydro-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-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.