Prenyl thioacetate
TL;DR: Prenyl thioacetate (CAS 1189502-84-8) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(3-methylbut-2-enyl) ethanethioate
Also Known As: Prenyl thioacetate, S-prenyl thioacetate, 3-Methyl-2-butenyl acetothioate, S-(3-methylbut-2-en-1-yl) ethanethioate, S-(3-methylbut-2-enyl) ethanethioate
Technical Specifications
| Molecular Formula | C7H12OS |
| Molecular Weight | 144.06088 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.06088 Da |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
| SMILES | CC(=CCSC(=O)C)C |
| InChIKey | HYSBJYIGYSBFQN-UHFFFAOYSA-N |
Chemical Property Profile of Prenyl thioacetate
Property Insights of Prenyl thioacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prenyl thioacetate. With a topological polar surface area (TPSA) of 42.4 Ų, Prenyl thioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prenyl thioacetate 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
What is the CAS number of Prenyl thioacetate?
The CAS number of Prenyl thioacetate is 1189502-84-8.
What is the molecular formula of Prenyl thioacetate?
The molecular formula of Prenyl thioacetate is C7H12OS.
What is the molecular weight of Prenyl thioacetate?
The molecular weight of Prenyl thioacetate is 144.06088 g/mol.
Where can I buy Prenyl thioacetate?
You can request a quote for Prenyl thioacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Prenyl thioacetate?
Yes, CoreyChem provides custom synthesis services for Prenyl thioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.