6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 301682-09-7) is a chemical compound with molecular formula C10H7ClFN3O2S and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione
Also Known As: BIM-0042237.P001, AB00681937-01, 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione, F3095-1318, 6-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,2,4-triazine-3,5-diol
| Molecular Formula | C10H7ClFN3O2S |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.99316 |
| Heavy Atoms | 18 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 301682-09-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NNC(=O)NC2=O)F |
| InChIKey | JWYFIKGDEDTHEJ-UHFFFAOYSA-N |
Product Overview
6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 301682-09-7), with molecular formula C10H7ClFN3O2S and molecular weight 286.99 g/mol. IUPAC: 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione has 2 hydrogen bond donor(s) and 5 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-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is 301682-09-7.
What is the molecular formula of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is C10H7ClFN3O2S.
What is the molecular weight of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione is 286.99 g/mol.
Where can I buy 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.