4-tert-butyl-N-(methylcarbamothioyl)benzamide
TL;DR: 4-tert-butyl-N-(methylcarbamothioyl)benzamide (CAS 125911-13-9) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-N-(methylcarbamothioyl)benzamide
Also Known As: 4-tert-butyl-N-(methylcarbamothioyl)benzamide, 2,3-Quinoxalinedione,5,7-dinitro, N-(4-tert-butylbenzoyl)-N'-methylthiourea, 1-(4-tert-Butyl-benzoyl)-3-methyl-thiourea, AN-329/43341583
Technical Specifications
| Molecular Formula | C13H18N2OS |
| Molecular Weight | 250.11398 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11398 Da |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC |
| InChIKey | SIIJSVZKWLSXIU-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-butyl-N-(methylcarbamothioyl)benzamide
Property Insights of 4-tert-butyl-N-(methylcarbamothioyl)benzamide
The XLogP value of 3.6 indicates that 4-tert-butyl-N-(methylcarbamothioyl)benzamide 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 4-tert-butyl-N-(methylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(methylcarbamothioyl)benzamide 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 4-tert-butyl-N-(methylcarbamothioyl)benzamide?
The CAS number of 4-tert-butyl-N-(methylcarbamothioyl)benzamide is 125911-13-9.
What is the molecular formula of 4-tert-butyl-N-(methylcarbamothioyl)benzamide?
The molecular formula of 4-tert-butyl-N-(methylcarbamothioyl)benzamide is C13H18N2OS.
What is the molecular weight of 4-tert-butyl-N-(methylcarbamothioyl)benzamide?
The molecular weight of 4-tert-butyl-N-(methylcarbamothioyl)benzamide is 250.11398 g/mol.
Where can I buy 4-tert-butyl-N-(methylcarbamothioyl)benzamide?
You can request a quote for 4-tert-butyl-N-(methylcarbamothioyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-butyl-N-(methylcarbamothioyl)benzamide?
Yes, CoreyChem provides custom synthesis services for 4-tert-butyl-N-(methylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.