5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 332388-00-8) is a chemical compound with molecular formula C14H10BrN3S and molecular weight 330.97787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, BUTTPARK 62\07-84, 3-(2-bromophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione, BAS 01542035, BIM-0008744.P001
Technical Specifications
| Molecular Formula | C14H10BrN3S |
| Molecular Weight | 330.97787 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.97787 Da |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Br |
| InChIKey | LRIACHLCWNKMDP-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.9 indicates that 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 332388-00-8.
What is the molecular formula of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is C14H10BrN3S.
What is the molecular weight of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol is 330.97787 g/mol.
Where can I buy 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.