Ethylthiol trifluoroacetate
TL;DR: Ethylthiol trifluoroacetate (CAS 383-64-2) is a chemical compound with molecular formula C4H5F3OS and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2,2,2-trifluoroethanethioate
Also Known As: S-Ethyl trifluorothioacetate, Ethyl trifluorothiolacetate, S-Ethylthiotrifluoroacetate, ethyltrifluoroacetate, Ethylthiol trifluoroacetate
| Molecular Formula | C4H5F3OS |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.00133 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 383-64-2 |
|---|---|
| SMILES | CCSC(=O)C(F)(F)F |
| InChIKey | VGGUKFAVHPGNBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylthiol trifluoroacetate (CAS 383-64-2), with molecular formula C4H5F3OS and molecular weight 158.00 g/mol. IUPAC: S-ethyl 2,2,2-trifluoroethanethioate.
Chemical Property Profile of Ethylthiol trifluoroacetate
Property Insights of Ethylthiol trifluoroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylthiol trifluoroacetate. With a topological polar surface area (TPSA) of 42.4 Ų, Ethylthiol trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylthiol trifluoroacetate has 0 hydrogen bond donor(s) and 5 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 Ethylthiol trifluoroacetate?
The CAS number of Ethylthiol trifluoroacetate is 383-64-2.
What is the molecular formula of Ethylthiol trifluoroacetate?
The molecular formula of Ethylthiol trifluoroacetate is C4H5F3OS.
What is the molecular weight of Ethylthiol trifluoroacetate?
The molecular weight of Ethylthiol trifluoroacetate is 158.00 g/mol.
Where can I buy Ethylthiol trifluoroacetate?
You can request a quote for Ethylthiol trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylthiol trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethylthiol trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.