5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 736162-74-6) is a chemical compound with molecular formula C14H8BrCl2N3S and molecular weight 398.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol, UPCMLD0ENAT0517-8605:001, 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione, 5-(2-Bromo-phenyl)-4-(3,4-dichloro-phenyl)-4H-[1,2,4]triazole-3-thiol, 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C14H8BrCl2N3S |
|---|---|
| Molecular Weight | 398.90 g/mol |
| LogP | 5.66619 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.89993 |
| Heavy Atoms | 21 |
| Complexity | 872.6508 |
Chemical Identifiers
| CAS Number | 736162-74-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl)Br |
Product Overview
5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 736162-74-6), with molecular formula C14H8BrCl2N3S and molecular weight 398.90 g/mol. IUPAC: 3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.66619 indicates that 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 736162-74-6.
What is the molecular formula of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is C14H8BrCl2N3S.
What is the molecular weight of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol is 398.90 g/mol.
Where can I buy 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-bromophenyl)-4-(3,4-dichlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.