![1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene structure](/static/products/4694/4694-58-0.webp)
1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
TL;DR: 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene (CAS 4694-58-0) is a chemical compound with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-(methylcarbamoylcarbamothioyl)benzamide
Also Known As: 1-methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene, 4-methyl-N-(methylcarbamoylcarbamothioyl)benzamide, 4-METHYL-N-{[(METHYLCARBAMOYL)AMINO]METHANETHIOYL}BENZAMIDE, 1-(4-Methylbenzoyl)-5-methylthiobiuret, 12F-935
| Molecular Formula | C11H13N3O2S |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 0.93872 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.07285 |
| Heavy Atoms | 17 |
| Complexity | 442.5347 |
Chemical Identifiers
| CAS Number | 4694-58-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC(=O)NC |
Product Overview
1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene (CAS 4694-58-0), with molecular formula C11H13N3O2S and molecular weight 251.07 g/mol. IUPAC: 4-methyl-N-(methylcarbamoylcarbamothioyl)benzamide.
Chemical Property Profile of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
Property Insights of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene
The XLogP value of 0.93872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene. Following Lipinski's Rule of Five, 1-Methyl-4-{[({[(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
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The CAS number of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is 4694-58-0.
What is the molecular formula of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The molecular formula of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is C11H13N3O2S.
What is the molecular weight of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
The molecular weight of 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene is 251.07 g/mol.
Where can I buy 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
You can request a quote for 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-{[({[(methylamino)carbonyl]amino}carbothioyl)amino]carbonyl}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.