N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea
TL;DR: N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea (CAS 13269-12-0) is a chemical compound with molecular formula C8H16N2OS and molecular weight 188.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-(2-methyl-4-oxopentan-2-yl)thiourea
Also Known As: 1,2-Bis(2-nitro-4-aminophenyl)ethane, 1-methyl-3-(2-methyl-4-oxopentan-2-yl)thiourea, N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea, 3-methyl-1-(2-methyl-4-oxo-pentan-2-yl)thiourea
Technical Specifications
| Molecular Formula | C8H16N2OS |
| Molecular Weight | 188.09833 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.09833 Da |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
| SMILES | CC(=O)CC(C)(C)NC(=S)NC |
| InChIKey | SPZOFKMQYDJOFU-UHFFFAOYSA-N |
Chemical Property Profile of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea
Property Insights of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea. Following Lipinski's Rule of Five, N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)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-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea?
The CAS number of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea is 13269-12-0.
What is the molecular formula of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea?
The molecular formula of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea is C8H16N2OS.
What is the molecular weight of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea?
The molecular weight of N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea is 188.09833 g/mol.
Where can I buy N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea?
You can request a quote for N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea?
Yes, CoreyChem provides custom synthesis services for N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.