3-Mercapto-3-methyl-1-butanol
TL;DR: 3-Mercapto-3-methyl-1-butanol (CAS 162404-35-5) is a chemical compound with molecular formula C5H12OS and molecular weight 120.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-3-sulfanylbutan-1-ol
Also Known As: 3-Mercapto-3-methyl-1-butanol, 3-methyl-3-sulfanylbutan-1-ol, 3-Mercapto-3-methylbutan-1-ol, 3-Mercapto-3-methylbutanol, Propikacin
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12OS |
| Molecular Weight | 120.06088 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.06088 Da |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
| SMILES | CC(C)(CCO)S |
| InChIKey | GBCGIJAYTBMFHI-UHFFFAOYSA-N |
Chemical Property Profile of 3-Mercapto-3-methyl-1-butanol
Property Insights of 3-Mercapto-3-methyl-1-butanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-3-methyl-1-butanol. With a topological polar surface area (TPSA) of 21.2 Ų, 3-Mercapto-3-methyl-1-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-3-methyl-1-butanol has 2 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 3-Mercapto-3-methyl-1-butanol?
The CAS number of 3-Mercapto-3-methyl-1-butanol is 162404-35-5.
What is the molecular formula of 3-Mercapto-3-methyl-1-butanol?
The molecular formula of 3-Mercapto-3-methyl-1-butanol is C5H12OS.
What is the molecular weight of 3-Mercapto-3-methyl-1-butanol?
The molecular weight of 3-Mercapto-3-methyl-1-butanol is 120.06088 g/mol.
Where can I buy 3-Mercapto-3-methyl-1-butanol?
You can request a quote for 3-Mercapto-3-methyl-1-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Mercapto-3-methyl-1-butanol?
Yes, CoreyChem provides custom synthesis services for 3-Mercapto-3-methyl-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.