![5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/7167/7167-10-4.webp)
5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7167-10-4) is a chemical compound with molecular formula C23H20BrN3OS and molecular weight 465.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione, 5-[3-[(3-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-2H-1,2,4-triazole-3-thione, 5-{3-[(3-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol, 5-{3-[(3-BROMOPHENOXY)METHYL]PHENYL}-4-(1-PHENYLETHYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C23H20BrN3OS |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 6.55849 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.05106 |
| Heavy Atoms | 29 |
| Complexity | 1169.9739 |
Chemical Identifiers
| CAS Number | 7167-10-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=NNC2=S)C3=CC=CC(=C3)COC4=CC(=CC=C4)Br |
Product Overview
5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 7167-10-4), with molecular formula C23H20BrN3OS and molecular weight 465.05 g/mol. IUPAC: 3-[3-[(3-bromophenoxy)methyl]phenyl]-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 6.55849 indicates that 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 7167-10-4.
What is the molecular formula of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C23H20BrN3OS.
What is the molecular weight of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 465.05 g/mol.
Where can I buy 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-{3-[(3-Bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.