N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea
TL;DR: N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea (CAS 111752-94-4) is a chemical compound with molecular formula C14H20N2OS and molecular weight 264.12964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-N-(1-phenylethylcarbamothioyl)propanamide
Also Known As: N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea, 2,2-dimethyl-N-(1-phenylethylcarbamothioyl)propanamide, AB-601/30968027, 2,2-dimethyl-N-{[(phenylethyl)amino]thioxomethyl}propanamide
Technical Specifications
| Molecular Formula | C14H20N2OS |
| Molecular Weight | 264.12964 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.12964 Da |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=S)NC(=O)C(C)(C)C |
| InChIKey | UXBMLFLLBPFZNS-UHFFFAOYSA-N |
Chemical Property Profile of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea
Property Insights of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea
The XLogP value of 3.6 indicates that N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea. Following Lipinski's Rule of Five, N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)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
What is the CAS number of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea?
The CAS number of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea is 111752-94-4.
What is the molecular formula of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea?
The molecular formula of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea is C14H20N2OS.
What is the molecular weight of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea?
The molecular weight of N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea is 264.12964 g/mol.
Where can I buy N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea?
You can request a quote for N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-(2,2-dimethylpropanoyl)-N'-(1-phenylethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.