S-(3,7-dimethylocta-2,6-dienyl) ethanethioate
TL;DR: S-(3,7-dimethylocta-2,6-dienyl) ethanethioate (CAS 71173-67-6) is a chemical compound with molecular formula C12H20OS and molecular weight 212.12349 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(3,7-dimethylocta-2,6-dienyl) ethanethioate
Also Known As: ETHANETHIOIC ACID S-((2E)-3,7-DIMETHYL-2,6-OCTADIENYL) ESTER
Technical Specifications
| Molecular Formula | C12H20OS |
| Molecular Weight | 212.12349 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.12349 Da |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
| SMILES | CC(=CCCC(=CCSC(=O)C)C)C |
| InChIKey | HRPHTQJOZFASCE-UHFFFAOYSA-N |
Chemical Property Profile of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate
Property Insights of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate
The XLogP value of 4.0 indicates that S-(3,7-dimethylocta-2,6-dienyl) ethanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-(3,7-dimethylocta-2,6-dienyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(3,7-dimethylocta-2,6-dienyl) ethanethioate 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-(3,7-dimethylocta-2,6-dienyl) ethanethioate?
The CAS number of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate is 71173-67-6.
What is the molecular formula of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate?
The molecular formula of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate is C12H20OS.
What is the molecular weight of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate?
The molecular weight of S-(3,7-dimethylocta-2,6-dienyl) ethanethioate is 212.12349 g/mol.
Where can I buy S-(3,7-dimethylocta-2,6-dienyl) ethanethioate?
You can request a quote for S-(3,7-dimethylocta-2,6-dienyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(3,7-dimethylocta-2,6-dienyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(3,7-dimethylocta-2,6-dienyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.