![S-[[4-(bromomethyl)phenyl]methyl] ethanethioate structure](/static/products/144/144852-54-0.webp)
S-[[4-(bromomethyl)phenyl]methyl] ethanethioate
TL;DR: S-[[4-(bromomethyl)phenyl]methyl] ethanethioate (CAS 144852-54-0) is a chemical compound with molecular formula C10H11BrOS and molecular weight 257.9714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[[4-(bromomethyl)phenyl]methyl] ethanethioate
Also Known As: S-4-(bromomethyl)benzyl ethanethioate, 1-[[4-(bromomethyl)phenyl]methylsulfanyl]ethanone
Technical Specifications
| Molecular Formula | C10H11BrOS |
| Molecular Weight | 257.9714 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.9714 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | CC(=O)SCC1=CC=C(C=C1)CBr |
| InChIKey | JFKTZNVOLXDXFI-UHFFFAOYSA-N |
Chemical Property Profile of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate
Property Insights of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[[4-(bromomethyl)phenyl]methyl] ethanethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-[[4-(bromomethyl)phenyl]methyl] ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[[4-(bromomethyl)phenyl]methyl] ethanethioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate?
The CAS number of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate is 144852-54-0.
What is the molecular formula of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate?
The molecular formula of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate is C10H11BrOS.
What is the molecular weight of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate?
The molecular weight of S-[[4-(bromomethyl)phenyl]methyl] ethanethioate is 257.9714 g/mol.
Where can I buy S-[[4-(bromomethyl)phenyl]methyl] ethanethioate?
You can request a quote for S-[[4-(bromomethyl)phenyl]methyl] ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-[[4-(bromomethyl)phenyl]methyl] ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-[[4-(bromomethyl)phenyl]methyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.