4-Bromo-2-methoxybenzenethiol
TL;DR: 4-Bromo-2-methoxybenzenethiol (CAS 145915-30-6) is a chemical compound with molecular formula C7H7BrOS and molecular weight 217.9401 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-methoxybenzenethiol
Also Known As: 4-bromo-2-methoxybenzenethiol, 4-bromo-2-methoxybenzene-1-thiol, 4-bromo-2-methoxy-benzenethiol, 2-Methoxy-4-bromobenzenethiol, Benzenethiol, 4-bromo-2-methoxy-
Technical Specifications
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 217.9401 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 10.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.9401 Da |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
| SMILES | COC1=C(C=CC(=C1)Br)S |
| InChIKey | HMAZSFYBMMAPHR-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-methoxybenzenethiol
Property Insights of 4-Bromo-2-methoxybenzenethiol
The XLogP value of 3.0 indicates that 4-Bromo-2-methoxybenzenethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 10.2 Ų, 4-Bromo-2-methoxybenzenethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methoxybenzenethiol has 1 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 4-Bromo-2-methoxybenzenethiol?
The CAS number of 4-Bromo-2-methoxybenzenethiol is 145915-30-6.
What is the molecular formula of 4-Bromo-2-methoxybenzenethiol?
The molecular formula of 4-Bromo-2-methoxybenzenethiol is C7H7BrOS.
What is the molecular weight of 4-Bromo-2-methoxybenzenethiol?
The molecular weight of 4-Bromo-2-methoxybenzenethiol is 217.9401 g/mol.
Where can I buy 4-Bromo-2-methoxybenzenethiol?
You can request a quote for 4-Bromo-2-methoxybenzenethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-methoxybenzenethiol?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-methoxybenzenethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.