C16H12F2N2OS
TL;DR: C16H12F2N2OS (CAS 1025229-82-6) is a chemical compound with molecular formula C16H12F2N2OS and molecular weight 318.06384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,4-difluorophenyl)carbamothioyl]-3-phenylprop-2-enamide
Also Known As: N-(((2,4-DIFLUOROPHENYL)AMINO)THIOXOMETHYL)-3-PHENYLPROP-2-ENAMIDE, N-[(2,4-difluorophenyl)carbamothioyl]-3-phenyl-prop-2-enamide, N-[(2,4-difluorophenyl)carbamothioyl]-3-phenylprop-2-enamide, N-[(2,4-difluorophenyl)thiocarbamoyl]-3-phenyl-prop-2-enamide, C16H12F2N2OS
Technical Specifications
| Molecular Formula | C16H12F2N2OS |
| Molecular Weight | 318.06384 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.06384 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)F)F |
| InChIKey | UUZARPNCOAFDCT-UHFFFAOYSA-N |
Chemical Property Profile of C16H12F2N2OS
Property Insights of C16H12F2N2OS
The XLogP value of 4.1 indicates that C16H12F2N2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H12F2N2OS. Following Lipinski's Rule of Five, C16H12F2N2OS 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 C16H12F2N2OS?
The CAS number of C16H12F2N2OS is 1025229-82-6.
What is the molecular formula of C16H12F2N2OS?
The molecular formula of C16H12F2N2OS is C16H12F2N2OS.
What is the molecular weight of C16H12F2N2OS?
The molecular weight of C16H12F2N2OS is 318.06384 g/mol.
Where can I buy C16H12F2N2OS?
You can request a quote for C16H12F2N2OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H12F2N2OS?
Yes, CoreyChem provides custom synthesis services for C16H12F2N2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.