![3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3352/335212-97-0.webp)
3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 335212-97-0) is a chemical compound with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Also Known As: BAS 02818331, N-(3,4-dimethylbenzoyl)-N'-{4-nitro-2-methylphenyl}thiourea, 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide, 1-(3,4-Dimethyl-benzoyl)-3-(2-methyl-4-nitro-phenyl)-thiourea, (3,4-dimethylphenyl)-N-{[(2-methyl-4-nitrophenyl)amino]thioxomethyl}carboxamid e
| Molecular Formula | C17H17N3O3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 3.64686 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.09906 |
| Heavy Atoms | 24 |
| Complexity | 833.8256 |
Chemical Identifiers
| CAS Number | 335212-97-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C |
Product Overview
3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide (CAS 335212-97-0), with molecular formula C17H17N3O3S and molecular weight 343.10 g/mol. IUPAC: 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.64686 indicates that 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide 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
Frequently Asked Questions
What is the CAS number of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 335212-97-0.
What is the molecular formula of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is C17H17N3O3S.
What is the molecular weight of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide is 343.10 g/mol.
Where can I buy 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.