1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
TL;DR: 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone (CAS 37664-32-7) is a chemical compound with molecular formula C10H8BrN3OS and molecular weight 296.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
Also Known As: ChemDiv1_005860, BAS 01521703, BIM-0008625.P001, 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone, 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
| Molecular Formula | C10H8BrN3OS |
|---|---|
| Molecular Weight | 296.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.95715 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 37664-32-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NC=NN2)Br |
| InChIKey | HUOQZGNRJIONBK-UHFFFAOYSA-N |
Product Overview
1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone (CAS 37664-32-7), with molecular formula C10H8BrN3OS and molecular weight 296.96 g/mol. IUPAC: 1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
Property Insights of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)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-(1H-1,2,4-triazol-5-ylthio)ethanone?
The CAS number of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone is 37664-32-7.
What is the molecular formula of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone is C10H8BrN3OS.
What is the molecular weight of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone is 296.96 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)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-(1H-1,2,4-triazol-5-ylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.