![(E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide structure](/static/products/1321/1321751-82-9.webp)
(E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide
TL;DR: (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide (CAS 1321751-82-9) is a chemical compound with molecular formula C15H12ClN3OS and molecular weight 317.03897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[(2-chloro-3-pyridinyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: IDI1_026145, 3-(2-chloropyridin-3-yl)-1-[(2E)-3-phenylprop-2-enoyl]thiourea, N-((2-chloropyridin-3-yl)carbamothioyl)cinnamamide, (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide, F1601-0476
Technical Specifications
| Molecular Formula | C15H12ClN3OS |
| Molecular Weight | 317.03897 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.03897 Da |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(N=CC=C2)Cl |
| InChIKey | HTQKJWCZGNOEMM-CMDGGOBGSA-N |
Chemical Property Profile of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide
Property Insights of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide
The XLogP value of 3.8 indicates that (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide 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 (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide?
The CAS number of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide is 1321751-82-9.
What is the molecular formula of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular formula of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide is C15H12ClN3OS.
What is the molecular weight of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide?
The molecular weight of (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide is 317.03897 g/mol.
Where can I buy (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide?
You can request a quote for (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (E)-N-[(2-chloropyridin-3-yl)carbamothioyl]-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.