硫代乙酸-O-乙酯
TL;DR: 硫代乙酸-O-乙酯 (CAS 59094-77-8) is a chemical compound with molecular formula CCOC(=S)C and molecular weight 104.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸-O-乙酯
O-ethyl ethanethioate
Also Known As: Ethyl thioacetate, o-Ethyl ethanethioate, Ethyl ethanethioate, 1-ethoxyethanethione, Ethylthioacetate
| Molecular Formula | CCOC(=S)C |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 59094-77-8 |
|---|---|
| SMILES | CCOC(=S)C |
| InChIKey | IEPFHYMMMGMRNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸-O-乙酯 (CAS 59094-77-8), with molecular formula CCOC(=S)C and molecular weight 104.03 g/mol. IUPAC: O-ethyl ethanethioate.
Chemical Property Profile of 硫代乙酸-O-乙酯
Property Insights of 硫代乙酸-O-乙酯
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸-O-乙酯. With a topological polar surface area (TPSA) of 41.3 Ų, 硫代乙酸-O-乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸-O-乙酯 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
Frequently Asked Questions
What is the CAS number of 硫代乙酸-O-乙酯?
The CAS number of 硫代乙酸-O-乙酯 is 59094-77-8.
What is the molecular formula of 硫代乙酸-O-乙酯?
The molecular formula of 硫代乙酸-O-乙酯 is CCOC(=S)C.
What is the molecular weight of 硫代乙酸-O-乙酯?
The molecular weight of 硫代乙酸-O-乙酯 is 104.03 g/mol.
Where can I buy 硫代乙酸-O-乙酯?
You can request a quote for 硫代乙酸-O-乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸-O-乙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸-O-乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.