![1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone structure](/static/products/100/100874-15-5.png)
1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone
TL;DR: 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone (CAS 100874-15-5) is a chemical compound with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(4-nitrophenyl)sulfanylethanone
Also Known As: 4'-bromo-2-(4-nitrophenylthio)acetophenone, 1-(4-bromophenyl)-2-[(4-nitrophenyl)thio]ethanone, 1-(4-bromophenyl)-2-(4-nitrophenyl)sulfanylethanone, 1-(4-bromophenyl)-2-[(4-nitrophenyl)sulfanyl]ethanone
| Molecular Formula | C14H10BrNO3S |
|---|---|
| Molecular Weight | 350.96 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 88.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.95648 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 100874-15-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])Br |
| InChIKey | GIFWTLNRLCOBKL-UHFFFAOYSA-N |
Product Overview
1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone (CAS 100874-15-5), with molecular formula C14H10BrNO3S and molecular weight 350.96 g/mol. IUPAC: 1-(4-bromophenyl)-2-(4-nitrophenyl)sulfanylethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone
Property Insights of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone
The XLogP value of 4.4 indicates that 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone has 0 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-[(4-nitrophenyl)thio]ethanone?
The CAS number of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone is 100874-15-5.
What is the molecular formula of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone is C14H10BrNO3S.
What is the molecular weight of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone is 350.96 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-[(4-nitrophenyl)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-[(4-nitrophenyl)thio]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-[(4-nitrophenyl)thio]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.