(Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate
TL;DR: (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate (CAS 116702-95-5) is a chemical compound with molecular formula C15H11ClF3NS and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) N-(2,2,2-trifluoroethyl)benzenecarboximidothioate
Also Known As: (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate, (4-chlorophenyl) N-(2,2,2-trifluoroethyl)benzenecarboximidothioate
| Molecular Formula | C15H11ClF3NS |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 5.4412 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.02527 |
| Heavy Atoms | 21 |
| Complexity | 609.0659 |
Chemical Identifiers
| CAS Number | 116702-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NCC(F)(F)F)SC2=CC=C(C=C2)Cl |
Product Overview
(Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate (CAS 116702-95-5), with molecular formula C15H11ClF3NS and molecular weight 329.03 g/mol. IUPAC: (4-chlorophenyl) N-(2,2,2-trifluoroethyl)benzenecarboximidothioate.
Chemical Property Profile of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate
Property Insights of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate
The XLogP value of 5.4412 indicates that (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate?
The CAS number of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate is 116702-95-5.
What is the molecular formula of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate?
The molecular formula of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate is C15H11ClF3NS.
What is the molecular weight of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate?
The molecular weight of (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate is 329.03 g/mol.
Where can I buy (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate?
You can request a quote for (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-chlorophenyl N-(2,2,2-trifluoroethyl)benzimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.