![N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea structure](/static/products/861/861208-61-9.png)
N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea
TL;DR: N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea (CAS 861208-61-9) is a chemical compound with molecular formula C15H13F3N2S and molecular weight 310.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
Also Known As: N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea, 1-phenyl-3-{[3-(trifluoromethyl)phenyl]methyl}thiourea, 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea, C15H13F3N2S
| Molecular Formula | C15H13F3N2S |
|---|---|
| Molecular Weight | 310.08 g/mol |
| LogP | 4.192 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.07516 |
| Heavy Atoms | 21 |
| Complexity | 611.81586 |
Chemical Identifiers
| CAS Number | 861208-61-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea (CAS 861208-61-9), with molecular formula C15H13F3N2S and molecular weight 310.08 g/mol. IUPAC: 1-phenyl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea.
Chemical Property Profile of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea
Property Insights of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea
The XLogP value of 4.192 indicates that N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea has 2 hydrogen bond donor(s) and 1 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 N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea?
The CAS number of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea is 861208-61-9.
What is the molecular formula of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea?
The molecular formula of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea is C15H13F3N2S.
What is the molecular weight of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea?
The molecular weight of N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea is 310.08 g/mol.
Where can I buy N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea?
You can request a quote for N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-N'-[3-(trifluoromethyl)benzyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.