S-tert-butyl pent-4-enethioate
TL;DR: S-tert-butyl pent-4-enethioate (CAS 61540-14-5) is a chemical compound with molecular formula C9H16OS and molecular weight 172.0922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-tert-butyl pent-4-enethioate
Also Known As: S-tert-butyl pent-4-enethioate
Technical Specifications
| Molecular Formula | C9H16OS |
| Molecular Weight | 172.0922 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.0922 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| SMILES | CC(C)(C)SC(=O)CCC=C |
| InChIKey | KVGJXTAZEZWBMI-UHFFFAOYSA-N |
Chemical Property Profile of S-tert-butyl pent-4-enethioate
Property Insights of S-tert-butyl pent-4-enethioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-tert-butyl pent-4-enethioate. With a topological polar surface area (TPSA) of 42.4 Ų, S-tert-butyl pent-4-enethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-tert-butyl pent-4-enethioate 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 S-tert-butyl pent-4-enethioate?
The CAS number of S-tert-butyl pent-4-enethioate is 61540-14-5.
What is the molecular formula of S-tert-butyl pent-4-enethioate?
The molecular formula of S-tert-butyl pent-4-enethioate is C9H16OS.
What is the molecular weight of S-tert-butyl pent-4-enethioate?
The molecular weight of S-tert-butyl pent-4-enethioate is 172.0922 g/mol.
Where can I buy S-tert-butyl pent-4-enethioate?
You can request a quote for S-tert-butyl pent-4-enethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-tert-butyl pent-4-enethioate?
Yes, CoreyChem provides custom synthesis services for S-tert-butyl pent-4-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.