N,N-diallyl-N'-benzoylthiourea
TL;DR: N,N-diallyl-N'-benzoylthiourea (CAS 122195-51-1) is a chemical compound with molecular formula C14H16N2OS and molecular weight 260.09833 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[bis(prop-2-enyl)carbamothioyl]benzamide
Also Known As: N,N-diallyl-N'-benzoylthiourea, N-(Diallylcarbamothioyl)benzamide, Maybridge1_006031, N,N-Diallyl-N//'-benzoylthiourea, 3-benzoyl-1,1-diallyl-2-thiourea
Technical Specifications
| Molecular Formula | C14H16N2OS |
| Molecular Weight | 260.09833 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.09833 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | C=CCN(CC=C)C(=S)NC(=O)C1=CC=CC=C1 |
| InChIKey | CTRPHZSFXIBKFI-UHFFFAOYSA-N |
Chemical Property Profile of N,N-diallyl-N'-benzoylthiourea
Property Insights of N,N-diallyl-N'-benzoylthiourea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diallyl-N'-benzoylthiourea. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-diallyl-N'-benzoylthiourea. Following Lipinski's Rule of Five, N,N-diallyl-N'-benzoylthiourea has 1 hydrogen bond donor(s) and 2 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,N-diallyl-N'-benzoylthiourea?
The CAS number of N,N-diallyl-N'-benzoylthiourea is 122195-51-1.
What is the molecular formula of N,N-diallyl-N'-benzoylthiourea?
The molecular formula of N,N-diallyl-N'-benzoylthiourea is C14H16N2OS.
What is the molecular weight of N,N-diallyl-N'-benzoylthiourea?
The molecular weight of N,N-diallyl-N'-benzoylthiourea is 260.09833 g/mol.
Where can I buy N,N-diallyl-N'-benzoylthiourea?
You can request a quote for N,N-diallyl-N'-benzoylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-diallyl-N'-benzoylthiourea?
Yes, CoreyChem provides custom synthesis services for N,N-diallyl-N'-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.