![1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone structure](/static/products/6196/6196-97-0.webp)
1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone
TL;DR: 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone (CAS 6196-97-0) is a chemical compound with molecular formula C11H10BrN3OS and molecular weight 310.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: CHEMBRDG-BB 6196970, 1-(4-BROMOPHENYL)-2-[(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ETHANONE, 3-Phenoxybenzylamine hydrochloride, 1-(4-Bromophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone, BAS 01521733
| Molecular Formula | C11H10BrN3OS |
|---|---|
| Molecular Weight | 310.97 g/mol |
| LogP | 2.85062 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.9728 |
| Heavy Atoms | 17 |
| Complexity | 523.76776 |
Chemical Identifiers
| CAS Number | 6196-97-0 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone (CAS 6196-97-0), with molecular formula C11H10BrN3OS and molecular weight 310.97 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone
Property Insights of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone
The XLogP value of 2.85062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone. With a topological polar surface area (TPSA) of 58.64 Ų, 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone has 1 hydrogen bond donor(s) and 4 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 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone?
The CAS number of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone is 6196-97-0.
What is the molecular formula of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone is C11H10BrN3OS.
What is the molecular weight of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone is 310.97 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.