二硫代乙酸乙酯
TL;DR: 二硫代乙酸乙酯 (CAS 870-73-5) is a chemical compound with molecular formula C4H8S2 and molecular weight 120.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二硫代乙酸乙酯
ethyl ethanedithioate
Also Known As: Ethyl dithioacetate, Ethyl ethanedithioate, ethyl ethane(dithioate), dithioacetic acid ethyl ester, Ethyl ethanedithioate #
| Molecular Formula | C4H8S2 |
|---|---|
| Molecular Weight | 120.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.006744 |
| Heavy Atoms | 6 |
| Complexity | 49.0 |
Chemical Identifiers
| CAS Number | 870-73-5 |
|---|---|
| SMILES | CCSC(=S)C |
| InChIKey | KCOPWUJJPSTRIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二硫代乙酸乙酯 (CAS 870-73-5), with molecular formula C4H8S2 and molecular weight 120.01 g/mol. IUPAC: ethyl ethanedithioate.
Chemical Property Profile of 二硫代乙酸乙酯
Property Insights of 二硫代乙酸乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二硫代乙酸乙酯. With a topological polar surface area (TPSA) of 57.4 Ų, 二硫代乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二硫代乙酸乙酯 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 二硫代乙酸乙酯?
The CAS number of 二硫代乙酸乙酯 is 870-73-5.
What is the molecular formula of 二硫代乙酸乙酯?
The molecular formula of 二硫代乙酸乙酯 is C4H8S2.
What is the molecular weight of 二硫代乙酸乙酯?
The molecular weight of 二硫代乙酸乙酯 is 120.01 g/mol.
Where can I buy 二硫代乙酸乙酯?
You can request a quote for 二硫代乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二硫代乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 二硫代乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.