硫代乙酸-S-乙酯
TL;DR: 硫代乙酸-S-乙酯 (CAS 625-60-5) is a chemical compound with molecular formula C4H8OS 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-S-乙酯
S-ethyl ethanethioate
Also Known As: Ethyl thioacetate, S-Ethyl thioacetate, S-Ethyl ethanethioate, Ethyl ethanethioate, S-Ethyl thiolacetate
| Molecular Formula | C4H8OS |
|---|---|
| Molecular Weight | 104.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.02959 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Density | 0.979 (20°) |
| Solubility | insoluble in water; soluble in alcohol; miscible in diethyl ether |
| Refractive Index | 1.456-1.468 |
Chemical Identifiers
| CAS Number | 625-60-5 |
|---|---|
| SMILES | CCSC(=O)C |
| InChIKey | APTGPWJUOYMUCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸-S-乙酯 (CAS 625-60-5), with molecular formula C4H8OS and molecular weight 104.03 g/mol. IUPAC: S-ethyl ethanethioate.
Chemical Property Profile of 硫代乙酸-S-乙酯
Property Insights of 硫代乙酸-S-乙酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸-S-乙酯. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代乙酸-S-乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸-S-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-S-乙酯?
The CAS number of 硫代乙酸-S-乙酯 is 625-60-5.
What is the molecular formula of 硫代乙酸-S-乙酯?
The molecular formula of 硫代乙酸-S-乙酯 is C4H8OS.
What is the molecular weight of 硫代乙酸-S-乙酯?
The molecular weight of 硫代乙酸-S-乙酯 is 104.03 g/mol.
Where can I buy 硫代乙酸-S-乙酯?
You can request a quote for 硫代乙酸-S-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-S-乙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸-S-乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.