Ethyl 2,2,2-trifluoroethanimidothioate
TL;DR: Ethyl 2,2,2-trifluoroethanimidothioate (CAS 21514-87-4) is a chemical compound with molecular formula C4H6F3NS and molecular weight 157.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2,2-trifluoroethanimidothioate
Also Known As: ethyl 2,2,2-trifluoroethanimidothioate, ethyl(1z)-2,2,2-trifluoroethanimidothioate, Ethanimidothioicacid, 2,2,2-trifluoro-, ethyl ester
| Molecular Formula | C4H6F3NS |
|---|---|
| Molecular Weight | 157.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.0173 |
| Heavy Atoms | 9 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 21514-87-4 |
|---|---|
| SMILES | CCSC(=N)C(F)(F)F |
| InChIKey | CIRZRPIEBGNNFI-UHFFFAOYSA-N |
Product Overview
Ethyl 2,2,2-trifluoroethanimidothioate (CAS 21514-87-4), with molecular formula C4H6F3NS and molecular weight 157.02 g/mol. IUPAC: ethyl 2,2,2-trifluoroethanimidothioate.
Chemical Property Profile of Ethyl 2,2,2-trifluoroethanimidothioate
Property Insights of Ethyl 2,2,2-trifluoroethanimidothioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2,2-trifluoroethanimidothioate. With a topological polar surface area (TPSA) of 49.2 Ų, Ethyl 2,2,2-trifluoroethanimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2,2-trifluoroethanimidothioate has 1 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 Ethyl 2,2,2-trifluoroethanimidothioate?
The CAS number of Ethyl 2,2,2-trifluoroethanimidothioate is 21514-87-4.
What is the molecular formula of Ethyl 2,2,2-trifluoroethanimidothioate?
The molecular formula of Ethyl 2,2,2-trifluoroethanimidothioate is C4H6F3NS.
What is the molecular weight of Ethyl 2,2,2-trifluoroethanimidothioate?
The molecular weight of Ethyl 2,2,2-trifluoroethanimidothioate is 157.02 g/mol.
Where can I buy Ethyl 2,2,2-trifluoroethanimidothioate?
You can request a quote for Ethyl 2,2,2-trifluoroethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2,2-trifluoroethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2,2-trifluoroethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.