![S-乙基-N-[4-(三氟甲基)苯基]异硫脲 structure](/static/products/1634/163490-40-2.webp)
S-乙基-N-[4-(三氟甲基)苯基]异硫脲
TL;DR: S-乙基-N-[4-(三氟甲基)苯基]异硫脲 (CAS 163490-40-2) is a chemical compound with molecular formula C10H11F3N2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-乙基-N-[4-(三氟甲基)苯基]异硫脲
ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate
Also Known As: S-Ethyl tfmp-isothiourea, TFPI hydrochloride, TFMPITU, Lopac-T-7188, Lopac0_001170
| Molecular Formula | C10H11F3N2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.05951 |
| Heavy Atoms | 16 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 163490-40-2 |
|---|---|
| SMILES | CCSC(=NC1=CC=C(C=C1)C(F)(F)F)N |
| InChIKey | LCMOXIFARISMOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-乙基-N-[4-(三氟甲基)苯基]异硫脲 (CAS 163490-40-2), with molecular formula C10H11F3N2S and molecular weight 248.06 g/mol. IUPAC: ethyl N'-[4-(trifluoromethyl)phenyl]carbamimidothioate.
Chemical Property Profile of S-乙基-N-[4-(三氟甲基)苯基]异硫脲
Property Insights of S-乙基-N-[4-(三氟甲基)苯基]异硫脲
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-乙基-N-[4-(三氟甲基)苯基]异硫脲. 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
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 248.06 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea?
Yes, KEHONG BIO 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.