![3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/955/955857-93-9.png)
3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 955857-93-9) is a chemical compound with molecular formula C20H17BrN6S and molecular weight 452.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(2-Bromo-phenyl)-4-{[1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-meth-(E)-ylidene]-amino}-4H-[1,2,4]tri azole-3-thiol, (E)-5-(2-bromophenyl)-4-(((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C20H17BrN6S |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 5.05493 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.04187 |
| Heavy Atoms | 28 |
| Complexity | 1219.2294 |
Chemical Identifiers
| CAS Number | 955857-93-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/N3C(=NNC3=S)C4=CC=CC=C4Br |
Product Overview
3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione (CAS 955857-93-9), with molecular formula C20H17BrN6S and molecular weight 452.04 g/mol. IUPAC: 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 5.05493 indicates that 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione is 955857-93-9.
What is the molecular formula of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione is C20H17BrN6S.
What is the molecular weight of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione is 452.04 g/mol.
Where can I buy 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-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-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-bromophenyl)-4-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.