S-(2-ethylphenyl) ethanethioate
TL;DR: S-(2-ethylphenyl) ethanethioate (CAS 63906-53-6) is a chemical compound with molecular formula C10H12OS and molecular weight 180.06088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(2-ethylphenyl) ethanethioate
Also Known As: S-(2-ethylphenyl) ethanethioate, ThioaceticacidS- ester, NIOSH/AJ6890000, s-(2-Ethylphenyl)ethanethioate, Acetic acid, o-ethylphenyl ester
Technical Specifications
| Molecular Formula | C10H12OS |
| Molecular Weight | 180.06088 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.06088 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| SMILES | CCC1=CC=CC=C1SC(=O)C |
| InChIKey | SLVAAKBEZYSRJE-UHFFFAOYSA-N |
Chemical Property Profile of S-(2-ethylphenyl) ethanethioate
Property Insights of S-(2-ethylphenyl) ethanethioate
The XLogP value of 3.0 indicates that S-(2-ethylphenyl) 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-(2-ethylphenyl) ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-ethylphenyl) 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-(2-ethylphenyl) ethanethioate?
The CAS number of S-(2-ethylphenyl) ethanethioate is 63906-53-6.
What is the molecular formula of S-(2-ethylphenyl) ethanethioate?
The molecular formula of S-(2-ethylphenyl) ethanethioate is C10H12OS.
What is the molecular weight of S-(2-ethylphenyl) ethanethioate?
The molecular weight of S-(2-ethylphenyl) ethanethioate is 180.06088 g/mol.
Where can I buy S-(2-ethylphenyl) ethanethioate?
You can request a quote for S-(2-ethylphenyl) ethanethioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(2-ethylphenyl) ethanethioate?
Yes, CoreyChem provides custom synthesis services for S-(2-ethylphenyl) ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.