![5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole structure](/static/products/3028/302804-67-7.webp)
5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole
TL;DR: 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole (CAS 302804-67-7) is a chemical compound with molecular formula C9H8BrN3S and molecular weight 268.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazole
Also Known As: 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole, 5-((4-bromobenzyl)thio)-1H-1,2,4-triazole, BIM-0035311.P001, BIM-0039661.P001, 5-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazole
| Molecular Formula | C9H8BrN3S |
|---|---|
| Molecular Weight | 268.96 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.96222 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 302804-67-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NN2)Br |
| InChIKey | MFKCRIBACYXHRI-UHFFFAOYSA-N |
Product Overview
5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole (CAS 302804-67-7), with molecular formula C9H8BrN3S and molecular weight 268.96 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-1H-1,2,4-triazole.
Chemical Property Profile of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole
Property Insights of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole
The XLogP value of 3.0 indicates that 5-[[(4-Bromophenyl)methyl]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-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-[[(4-Bromophenyl)methyl]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
Frequently Asked Questions
What is the CAS number of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole?
The CAS number of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole is 302804-67-7.
What is the molecular formula of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole?
The molecular formula of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole is C9H8BrN3S.
What is the molecular weight of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole?
The molecular weight of 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole is 268.96 g/mol.
Where can I buy 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole?
You can request a quote for 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[[(4-Bromophenyl)methyl]thio]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.