![N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide structure](/static/products/1024/1024523-05-4.webp)
N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide
TL;DR: N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide (CAS 1024523-05-4) is a chemical compound with molecular formula C16H13N5OS and molecular weight 323.08408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide
Also Known As: 1-(4-(1,2,4-TRIAZOLYL)PHENYL)-3-BENZOYLTHIOUREA, 1-benzoyl-3-[4-(1H-1,2,4-triazol-1-yl)phenyl]thiourea, N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide, N-[[4-(1,2,4-triazol-1-yl)phenyl]thiocarbamoyl]benzamide, C16H13N5OS
Technical Specifications
| Molecular Formula | C16H13N5OS |
| Molecular Weight | 323.08408 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.08408 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3C=NC=N3 |
| InChIKey | HQFKDPZCCFBBTC-UHFFFAOYSA-N |
Chemical Property Profile of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide
Property Insights of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide
The XLogP value of 3.3 indicates that N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[[4-(1,2,4-triazol-1-yl)phenyl]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 N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide?
The CAS number of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide is 1024523-05-4.
What is the molecular formula of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide?
The molecular formula of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide is C16H13N5OS.
What is the molecular weight of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide?
The molecular weight of N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide is 323.08408 g/mol.
Where can I buy N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide?
You can request a quote for N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide?
Yes, CoreyChem provides custom synthesis services for N-[[4-(1,2,4-triazol-1-yl)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.