![1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene structure](/static/products/1387/138712-70-6.webp)
1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
TL;DR: 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene (CAS 138712-70-6) is a chemical compound with molecular formula C10H11N3O2S and molecular weight 237.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(methylcarbamoylcarbamothioyl)benzamide
Also Known As: 1-benzoyl-5-methyl-2-thiobiuret, N-((Methylcarbamoyl)carbamothioyl)benzamide, N-(methylcarbamoylcarbamothioyl)benzamide, 1-(Benzoyl)-5-methylthiobiuret, N-{[(methylcarbamoyl)amino]methanethioyl}benzamide
Technical Specifications
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.0572 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.0572 Da |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
| SMILES | CNC(=O)NC(=S)NC(=O)C1=CC=CC=C1 |
| InChIKey | JZJVBSGVBZEIDK-UHFFFAOYSA-N |
Chemical Property Profile of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
Property Insights of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene. Following Lipinski's Rule of Five, 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The CAS number of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is 138712-70-6.
What is the molecular formula of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The molecular formula of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is C10H11N3O2S.
What is the molecular weight of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The molecular weight of 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is 237.0572 g/mol.
Where can I buy 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
You can request a quote for 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
Yes, CoreyChem provides custom synthesis services for 1-{[({[(Methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.