IFLab1_000625
TL;DR: IFLab1_000625 (CAS 1128-77-4) is a chemical compound with molecular formula C10H9N3OS and molecular weight 219.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: IFLab1_000625, 3-Phenacylthio-1,2,4-triazol, 1-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone, BAS 01277236, SDCCGMLS-0065410.P001
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9N3OS |
| Molecular Weight | 219.04663 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.04663 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC=NN2 |
| InChIKey | UJVOAHVGRTVDDA-UHFFFAOYSA-N |
Chemical Property Profile of IFLab1_000625
Property Insights of IFLab1_000625
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_000625. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000625. Following Lipinski's Rule of Five, IFLab1_000625 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of IFLab1_000625?
The CAS number of IFLab1_000625 is 1128-77-4.
What is the molecular formula of IFLab1_000625?
The molecular formula of IFLab1_000625 is C10H9N3OS.
What is the molecular weight of IFLab1_000625?
The molecular weight of IFLab1_000625 is 219.04663 g/mol.
Where can I buy IFLab1_000625?
You can request a quote for IFLab1_000625 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for IFLab1_000625?
Yes, CoreyChem provides custom synthesis services for IFLab1_000625 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.