3-Phenyl-1,2,4-thiadiazole
TL;DR: 3-Phenyl-1,2,4-thiadiazole (CAS 50483-82-4) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.02516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-1,2,4-thiadiazole
Also Known As: 3-PHENYL-1,2,4-THIADIAZOLE, J1.619.408E, 851-270-9
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6N2S |
| Molecular Weight | 162.02516 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02516 Da |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| SMILES | C1=CC=C(C=C1)C2=NSC=N2 |
| InChIKey | PAPIULIUHITHDW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-1,2,4-thiadiazole
Property Insights of 3-Phenyl-1,2,4-thiadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-1,2,4-thiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 3-Phenyl-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1,2,4-thiadiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenyl-1,2,4-thiadiazole?
The CAS number of 3-Phenyl-1,2,4-thiadiazole is 50483-82-4.
What is the molecular formula of 3-Phenyl-1,2,4-thiadiazole?
The molecular formula of 3-Phenyl-1,2,4-thiadiazole is C8H6N2S.
What is the molecular weight of 3-Phenyl-1,2,4-thiadiazole?
The molecular weight of 3-Phenyl-1,2,4-thiadiazole is 162.02516 g/mol.
Where can I buy 3-Phenyl-1,2,4-thiadiazole?
You can request a quote for 3-Phenyl-1,2,4-thiadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-1,2,4-thiadiazole?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.