4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 162221-97-8) 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.
4-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: AA-504/33322022, J3.462.107A, 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide, 4-(4-bromophenyl)-3-phenyl-1H-1,2,4-triazole-5-thione, 4-(p-Bromophenyl)-5-phenyl-4H-1,2,4-triazole-3(2H)-thione
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 | 371.0 |
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=C(C=C3)Br |
| InChIKey | AGBVUYVLJGPQDY-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 3.9 indicates that 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide 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 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide is 162221-97-8.
What is the molecular formula of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide is C14H10BrN3S.
What is the molecular weight of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide is 330.97787 g/mol.
Where can I buy 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, CoreyChem provides custom synthesis services for 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.