硫代乙酸S-异丁酯
TL;DR: 硫代乙酸S-异丁酯 (CAS 2432-37-3) is a chemical compound with molecular formula C6H12OS and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸S-异丁酯
S-(2-methylpropyl) ethanethioate
Also Known As: S-Isobutyl thioacetate, thioacetic acid S-isobutyl ester, Acetic acid, thio-, S-isobutyl ester, S-Isobutyl ethanethioate #, 2-Methylpropane-1-thiol acetate
| Molecular Formula | C6H12OS |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.06088 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 2432-37-3 |
|---|---|
| SMILES | CC(C)CSC(=O)C |
| InChIKey | CKZPJEYIMQJCNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸S-异丁酯 (CAS 2432-37-3), with molecular formula C6H12OS and molecular weight 132.06 g/mol. IUPAC: S-(2-methylpropyl) ethanethioate.
Chemical Property Profile of 硫代乙酸S-异丁酯
Property Insights of 硫代乙酸S-异丁酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸S-异丁酯. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代乙酸S-异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸S-异丁酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫代乙酸S-异丁酯?
The CAS number of 硫代乙酸S-异丁酯 is 2432-37-3.
What is the molecular formula of 硫代乙酸S-异丁酯?
The molecular formula of 硫代乙酸S-异丁酯 is C6H12OS.
What is the molecular weight of 硫代乙酸S-异丁酯?
The molecular weight of 硫代乙酸S-异丁酯 is 132.06 g/mol.
Where can I buy 硫代乙酸S-异丁酯?
You can request a quote for 硫代乙酸S-异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸S-异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸S-异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.