1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea
TL;DR: 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea (CAS 63494-72-4) is a chemical compound with molecular formula C15H11F3N2OS and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 1-benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea, N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide, N-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]benzamide, 653-976-0, RefChem:429664
| Molecular Formula | C15H11F3N2OS |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 3.8322 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.0544 |
| Heavy Atoms | 22 |
| Complexity | 686.68695 |
Chemical Identifiers
| CAS Number | 63494-72-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F |
Product Overview
1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea (CAS 63494-72-4), with molecular formula C15H11F3N2OS and molecular weight 324.05 g/mol. IUPAC: N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea
Property Insights of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea
The XLogP value of 3.8322 indicates that 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea has 2 hydrogen bond donor(s) and 2 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 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea?
The CAS number of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea is 63494-72-4.
What is the molecular formula of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea?
The molecular formula of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea is C15H11F3N2OS.
What is the molecular weight of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea?
The molecular weight of 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea is 324.05 g/mol.
Where can I buy 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea?
You can request a quote for 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3-(alpha,alpha,alpha-trifluoro-ortho-tolyl)-2-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.