5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole
TL;DR: 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole (CAS 1001604-63-2) is a chemical compound with molecular formula C9H8BrN3S and molecular weight 268.96222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2-bromophenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole, 5-{[(2-bromophenyl)methyl]sulfanyl}-1H-1,2,4-triazole, 5-([(2-BROMOPHENYL)METHYL]SULFANYL)-1H-1,2,4-TRIAZOLE, 5-[(2-bromophenyl)methylsulfanyl]-1H-1,2,4-triazole, G46301
Technical Specifications
| Molecular Formula | C9H8BrN3S |
| Molecular Weight | 268.96222 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.96222 Da |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
| SMILES | C1=CC=C(C(=C1)CSC2=NC=NN2)Br |
| InChIKey | QWLSJKXMRZKAOG-UHFFFAOYSA-N |
Chemical Property Profile of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole
Property Insights of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole
The XLogP value of 3.0 indicates that 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole. Following Lipinski's Rule of Five, 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole has 1 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 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole?
The CAS number of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole is 1001604-63-2.
What is the molecular formula of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole?
The molecular formula of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole is C9H8BrN3S.
What is the molecular weight of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole?
The molecular weight of 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole is 268.96222 g/mol.
Where can I buy 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole?
You can request a quote for 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 5-((2-Bromobenzyl)thio)-1h-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.