N-(methylcarbamothioyl)-3-nitrobenzamide
TL;DR: N-(methylcarbamothioyl)-3-nitrobenzamide (CAS 117929-23-4) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.03647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(methylcarbamothioyl)-3-nitrobenzamide
Also Known As: Pyrene,2,7-dinitro, N-(methylcarbamothioyl)-3-nitrobenzamide, N-{3-nitrobenzoyl}-N'-methylthiourea, 1-Methyl-3-(3-nitro-benzoyl)-thiourea, N-[(methylamino)carbonothioyl]-3-nitrobenzamide
Technical Specifications
| Molecular Formula | C9H9N3O3S |
| Molecular Weight | 239.03647 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.03647 Da |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
| SMILES | CNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | BUQFLDGQPOPXDV-UHFFFAOYSA-N |
Chemical Property Profile of N-(methylcarbamothioyl)-3-nitrobenzamide
Property Insights of N-(methylcarbamothioyl)-3-nitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(methylcarbamothioyl)-3-nitrobenzamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(methylcarbamothioyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(methylcarbamothioyl)-3-nitrobenzamide has 2 hydrogen bond donor(s) and 4 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-(methylcarbamothioyl)-3-nitrobenzamide?
The CAS number of N-(methylcarbamothioyl)-3-nitrobenzamide is 117929-23-4.
What is the molecular formula of N-(methylcarbamothioyl)-3-nitrobenzamide?
The molecular formula of N-(methylcarbamothioyl)-3-nitrobenzamide is C9H9N3O3S.
What is the molecular weight of N-(methylcarbamothioyl)-3-nitrobenzamide?
The molecular weight of N-(methylcarbamothioyl)-3-nitrobenzamide is 239.03647 g/mol.
Where can I buy N-(methylcarbamothioyl)-3-nitrobenzamide?
You can request a quote for N-(methylcarbamothioyl)-3-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(methylcarbamothioyl)-3-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(methylcarbamothioyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.