![7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one structure](/static/products/869/869074-63-5.png)
7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
TL;DR: 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869074-63-5) is a chemical compound with molecular formula C12H9FN4OS2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-fluorophenyl)methylsulfanyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Also Known As: 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, F1853-0109, 7-((3-fluorobenzyl)thio)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one, 7-[(3-fluorophenyl)methylsulfanyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
| Molecular Formula | C12H9FN4OS2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.28582 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.02017 |
| Heavy Atoms | 20 |
| Complexity | 829.68054 |
Chemical Identifiers
| CAS Number | 869074-63-5 |
|---|---|
| SMILES | CC1=NN=C2N(C1=O)N=C(S2)SCC3=CC(=CC=C3)F |
Product Overview
7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one (CAS 869074-63-5), with molecular formula C12H9FN4OS2 and molecular weight 308.02 g/mol. IUPAC: 7-[(3-fluorophenyl)methylsulfanyl]-3-methyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one.
Chemical Property Profile of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Property Insights of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
The XLogP value of 2.28582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one. Following Lipinski's Rule of Five, 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one has 0 hydrogen bond donor(s) and 6 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 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The CAS number of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 869074-63-5.
What is the molecular formula of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular formula of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is C12H9FN4OS2.
What is the molecular weight of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
The molecular weight of 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one is 308.02 g/mol.
Where can I buy 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
You can request a quote for 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-{[(3-fluorophenyl)methyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.