S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
TL;DR: S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea (CAS 163490-40-2) is a chemical compound with molecular formula C10H11F3N2S and molecular weight 248.05951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
Also Known As: S-Ethyl tfmp-isothiourea, TFPI hydrochloride, TFMPITU, Lopac-T-7188, Lopac0_001170
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11F3N2S |
| Molecular Weight | 248.05951 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.05951 Da |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
| SMILES | CCSC(=NC1=CC=C(C=C1)C(F)(F)F)N |
| InChIKey | LCMOXIFARISMOH-UHFFFAOYSA-N |
Product Description
Applications: S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea (CAS 163490-40-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is a pharmaceutical intermediate identified by CAS number 163490-40-2 and the molecular formula C10H11F3N2S and a molecular weight of 248.06 g/mol. It is also known as S-Ethyl tfmp-isothiourea and TFPI hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
Property Insights of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
The XLogP value of 3.2 indicates that S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea. Following Lipinski's Rule of Five, S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea 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
What is the CAS number of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
The CAS number of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is 163490-40-2.
What is the molecular formula of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
The molecular formula of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is C10H11F3N2S.
What is the molecular weight of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
The molecular weight of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is 248.05951 g/mol.
What are the applications of S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies S-Ethyl...
Where can I buy S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
You can request a quote for S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
Yes, CoreyChem provides custom synthesis services for S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.