S-Ethyl acetothioacetate
TL;DR: S-Ethyl acetothioacetate (CAS 3075-23-8) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 3-oxobutanethioate
Also Known As: S-Ethyl acetothioacetate, S-Ethyl 3-oxobutanethioate, 3-OxothiobutyricacidS-ethylester, S-Ethyl 3-oxobutanethioate #, S-Ethyl acetothioacetate, 90%
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 3075-23-8 |
|---|---|
| SMILES | CCSC(=O)CC(=O)C |
| InChIKey | OMERQNHZTBWLMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Ethyl acetothioacetate (CAS 3075-23-8), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: S-ethyl 3-oxobutanethioate.
Chemical Property Profile of S-Ethyl acetothioacetate
Property Insights of S-Ethyl acetothioacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Ethyl acetothioacetate. With a topological polar surface area (TPSA) of 59.4 Ų, S-Ethyl acetothioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Ethyl acetothioacetate has 0 hydrogen bond donor(s) and 3 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 S-Ethyl acetothioacetate?
The CAS number of S-Ethyl acetothioacetate is 3075-23-8.
What is the molecular formula of S-Ethyl acetothioacetate?
The molecular formula of S-Ethyl acetothioacetate is C6H10O2S.
What is the molecular weight of S-Ethyl acetothioacetate?
The molecular weight of S-Ethyl acetothioacetate is 146.04 g/mol.
Where can I buy S-Ethyl acetothioacetate?
You can request a quote for S-Ethyl acetothioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl acetothioacetate?
Yes, KEHONG BIO provides custom synthesis services for S-Ethyl acetothioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.