4-Bromothioanisole
TL;DR: 4-Bromothioanisole (CAS 104-95-0) is a chemical compound with molecular formula C7H7BrS and molecular weight 201.94518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-4-methylsulfanylbenzene
Also Known As: 4-Bromothioanisole, p-Bromothioanisole, p-Bromophenyl methyl sulfide, 1-Bromo-4-(methylthio)benzene, 4-Bromophenyl methyl sulfide
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7BrS |
| Molecular Weight | 201.94518 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.94518 Da |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| SMILES | CSC1=CC=C(C=C1)Br |
| InChIKey | YEUYZNNBXLMFCW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromothioanisole
Property Insights of 4-Bromothioanisole
The XLogP value of 3.1 indicates that 4-Bromothioanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 4-Bromothioanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromothioanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromothioanisole?
The CAS number of 4-Bromothioanisole is 104-95-0.
What is the molecular formula of 4-Bromothioanisole?
The molecular formula of 4-Bromothioanisole is C7H7BrS.
What is the molecular weight of 4-Bromothioanisole?
The molecular weight of 4-Bromothioanisole is 201.94518 g/mol.
Where can I buy 4-Bromothioanisole?
You can request a quote for 4-Bromothioanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromothioanisole?
Yes, CoreyChem provides custom synthesis services for 4-Bromothioanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.