3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione (CAS 328556-68-9) is a chemical compound with molecular formula C15H12BrN3S and molecular weight 344.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: TimTec1_003583, BAS 00914249, 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione, 5-(4-bromophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol, BRD-K11005899-001-01-3
| Molecular Formula | C15H12BrN3S |
|---|---|
| Molecular Weight | 344.99 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.99353 |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 328556-68-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NNC2=S)C3=CC=C(C=C3)Br |
| InChIKey | OZCRRIDTCFSFFO-UHFFFAOYSA-N |
Product Overview
3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione (CAS 328556-68-9), with molecular formula C15H12BrN3S and molecular weight 344.99 g/mol. IUPAC: 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.2 indicates that 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione 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
Frequently Asked Questions
What is the CAS number of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is 328556-68-9.
What is the molecular formula of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is C15H12BrN3S.
What is the molecular weight of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione is 344.99 g/mol.
Where can I buy 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.