3-Methylbutyl hydrogen sulfate
TL;DR: 3-Methylbutyl hydrogen sulfate (CAS 50632-95-6) is a chemical compound with molecular formula C5H12O4S and molecular weight 168.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl hydrogen sulfate
Also Known As: isopentyl hydrogen sulfate, 3-methyl-1-sulfooxy-butane, (3-methylbutoxy)sulfonic acid, 3-methylbutyl hydrogen sulfate, Sulfuric acid hydrogen isopentyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O4S |
| Molecular Weight | 168.04562 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.04562 Da |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
| SMILES | CC(C)CCOS(=O)(=O)O |
| InChIKey | WUVFMWOVTWSINJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methylbutyl hydrogen sulfate
Property Insights of 3-Methylbutyl hydrogen sulfate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl hydrogen sulfate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methylbutyl hydrogen sulfate. Following Lipinski's Rule of Five, 3-Methylbutyl hydrogen sulfate has 1 hydrogen bond donor(s) and 4 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-Methylbutyl hydrogen sulfate?
The CAS number of 3-Methylbutyl hydrogen sulfate is 50632-95-6.
What is the molecular formula of 3-Methylbutyl hydrogen sulfate?
The molecular formula of 3-Methylbutyl hydrogen sulfate is C5H12O4S.
What is the molecular weight of 3-Methylbutyl hydrogen sulfate?
The molecular weight of 3-Methylbutyl hydrogen sulfate is 168.04562 g/mol.
Where can I buy 3-Methylbutyl hydrogen sulfate?
You can request a quote for 3-Methylbutyl hydrogen sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbutyl hydrogen sulfate?
Yes, CoreyChem provides custom synthesis services for 3-Methylbutyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.