S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate
TL;DR: S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate (CAS 136954-28-4) is a chemical compound with molecular formula C10H18O3S and molecular weight 218.09767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetylsulfanylhexyl acetate
Also Known As: Passiflora acetate, 3-acetylsulfanylhexyl Acetate, 3-(Acetylmercapto)hexyl acetate, 3-(ACETYLTHIO)HEXYL ACETATE, 3-Acetylthiohexyl ethanoate
Technical Specifications
| Molecular Formula | C10H18O3S |
| Molecular Weight | 218.09767 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 68.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.09767 Da |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| SMILES | CCCC(CCOC(=O)C)SC(=O)C |
| InChIKey | GSJSVAFGVJLTNQ-UHFFFAOYSA-N |
Chemical Property Profile of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate
Property Insights of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate. The TPSA of 68.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate. Following Lipinski's Rule of Five, S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate has 0 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 S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate?
The CAS number of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate is 136954-28-4.
What is the molecular formula of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate?
The molecular formula of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate is C10H18O3S.
What is the molecular weight of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate?
The molecular weight of S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate is 218.09767 g/mol.
Where can I buy S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate?
You can request a quote for S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(1-(2-(Acetyloxy)ethyl)butyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.