N-(pyridin-3-ylmethylcarbamothioyl)benzamide
TL;DR: N-(pyridin-3-ylmethylcarbamothioyl)benzamide (CAS 118708-30-8) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Also Known As: Maybridge1_005813, N-benzoyl-N'-(3-pyridinylmethyl)thiourea, N-(pyridin-3-ylmethylcarbamothioyl)benzamide, N-[(pyridin-3-ylmethyl)carbamothioyl]benzamide, N-((pyridin-3-ylmethyl)carbamothioyl)benzamide
Technical Specifications
| Molecular Formula | C14H13N3OS |
| Molecular Weight | 271.07794 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 Da |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2 |
| InChIKey | OOFXUWVGDFPSMO-UHFFFAOYSA-N |
Chemical Property Profile of N-(pyridin-3-ylmethylcarbamothioyl)benzamide
Property Insights of N-(pyridin-3-ylmethylcarbamothioyl)benzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(pyridin-3-ylmethylcarbamothioyl)benzamide. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(pyridin-3-ylmethylcarbamothioyl)benzamide. Following Lipinski's Rule of Five, N-(pyridin-3-ylmethylcarbamothioyl)benzamide has 2 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 N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The CAS number of N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 118708-30-8.
What is the molecular formula of N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular formula of N-(pyridin-3-ylmethylcarbamothioyl)benzamide is C14H13N3OS.
What is the molecular weight of N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
The molecular weight of N-(pyridin-3-ylmethylcarbamothioyl)benzamide is 271.07794 g/mol.
Where can I buy N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
You can request a quote for N-(pyridin-3-ylmethylcarbamothioyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(pyridin-3-ylmethylcarbamothioyl)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(pyridin-3-ylmethylcarbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.