Methyl-2-butylmercapto-4-catechol
TL;DR: Methyl-2-butylmercapto-4-catechol (CAS 100469-46-3) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.0871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methylbutylsulfanyl)benzene-1,2-diol
Also Known As: Methyl-2-butylmercapto-4-catechol, 4-(2-methylbutylthio)-catechol, EP 10045, 4-(2-methylbutylsulfanyl)benzene-1,2-diol, 4-[(2-Methylbutyl)thio]-1,2-benzenediol
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H16O2S |
| Molecular Weight | 212.0871 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.0871 Da |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
| SMILES | CCC(C)CSC1=CC(=C(C=C1)O)O |
| InChIKey | FDSKJEWQSXGEEZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl-2-butylmercapto-4-catechol
Property Insights of Methyl-2-butylmercapto-4-catechol
The XLogP value of 3.4 indicates that Methyl-2-butylmercapto-4-catechol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-2-butylmercapto-4-catechol. Following Lipinski's Rule of Five, Methyl-2-butylmercapto-4-catechol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl-2-butylmercapto-4-catechol?
The CAS number of Methyl-2-butylmercapto-4-catechol is 100469-46-3.
What is the molecular formula of Methyl-2-butylmercapto-4-catechol?
The molecular formula of Methyl-2-butylmercapto-4-catechol is C11H16O2S.
What is the molecular weight of Methyl-2-butylmercapto-4-catechol?
The molecular weight of Methyl-2-butylmercapto-4-catechol is 212.0871 g/mol.
Where can I buy Methyl-2-butylmercapto-4-catechol?
You can request a quote for Methyl-2-butylmercapto-4-catechol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl-2-butylmercapto-4-catechol?
Yes, CoreyChem provides custom synthesis services for Methyl-2-butylmercapto-4-catechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.