![6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione structure](/static/products/5747/5747-49-9.webp)
6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
TL;DR: 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione (CAS 5747-49-9) is a chemical compound with molecular formula C10H8ClN3O2S and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
Also Known As: BAS 00909571, BIM-0026311.P001, Dibenzo[b,f][1,4]thiazepine,11-hydrazinyl-, AB00095648-01, 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
| Molecular Formula | C10H8ClN3O2S |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00256 |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 5747-49-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NNC(=O)NC2=O)Cl |
| InChIKey | LGPVDMYMLAYVOM-UHFFFAOYSA-N |
Product Overview
6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione (CAS 5747-49-9), with molecular formula C10H8ClN3O2S and molecular weight 269.00 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
Property Insights of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione. Following Lipinski's Rule of Five, 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione has 2 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 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione?
The CAS number of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione is 5747-49-9.
What is the molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione?
The molecular formula of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione is C10H8ClN3O2S.
What is the molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione?
The molecular weight of 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione is 269.00 g/mol.
Where can I buy 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione?
You can request a quote for 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-chlorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.