((4-(Trifluoromethoxy)phenyl)methyl)thiourea
TL;DR: ((4-(Trifluoromethoxy)phenyl)methyl)thiourea (CAS 296277-22-0) is a chemical compound with molecular formula C9H9F3N2OS and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethoxy)phenyl]methylthiourea
Also Known As: {[4-(trifluoromethoxy)phenyl]methyl}thiourea, 1-(4-(Trifluoromethoxy)benzyl)thiourea, 4-Trifluoromethoxybenzylthiourea, [4-(trifluoromethoxy)phenyl]methylthiourea, {4-(Trifluoromethoxy)phenylmethyl}thiourea
| Molecular Formula | C9H9F3N2OS |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.9184 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03877 |
| Heavy Atoms | 16 |
| Complexity | 364.012 |
Chemical Identifiers
| CAS Number | 296277-22-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=S)N)OC(F)(F)F |
Product Overview
((4-(Trifluoromethoxy)phenyl)methyl)thiourea (CAS 296277-22-0), with molecular formula C9H9F3N2OS and molecular weight 250.04 g/mol. IUPAC: [4-(trifluoromethoxy)phenyl]methylthiourea.
Chemical Property Profile of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea
Property Insights of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea
The XLogP value of 1.9184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((4-(Trifluoromethoxy)phenyl)methyl)thiourea. With a topological polar surface area (TPSA) of 47.28 Ų, ((4-(Trifluoromethoxy)phenyl)methyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((4-(Trifluoromethoxy)phenyl)methyl)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 ((4-(Trifluoromethoxy)phenyl)methyl)thiourea?
The CAS number of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea is 296277-22-0.
What is the molecular formula of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea?
The molecular formula of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea is C9H9F3N2OS.
What is the molecular weight of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea?
The molecular weight of ((4-(Trifluoromethoxy)phenyl)methyl)thiourea is 250.04 g/mol.
Where can I buy ((4-(Trifluoromethoxy)phenyl)methyl)thiourea?
You can request a quote for ((4-(Trifluoromethoxy)phenyl)methyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((4-(Trifluoromethoxy)phenyl)methyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for ((4-(Trifluoromethoxy)phenyl)methyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.