![3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3560/356076-39-6.webp)
3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 356076-39-6) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.06775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide, AB00109738-01, N-{4-nitrophenyl}-N'-(3-methylbenzoyl)thiourea, AN-648/40682084, 3-methyl-N-((4-nitrophenyl)carbamothioyl)benzamide
Technical Specifications
| Molecular Formula | C15H13N3O3S |
| Molecular Weight | 315.06775 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.06775 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PXFSTNXNZVFFSH-UHFFFAOYSA-N |
Chemical Property Profile of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.7 indicates that 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-methyl-N-[(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
What is the CAS number of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is 356076-39-6.
What is the molecular formula of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is C15H13N3O3S.
What is the molecular weight of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is 315.06775 g/mol.
Where can I buy 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
Yes, CoreyChem provides custom synthesis services for 3-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.