N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide
TL;DR: N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide (CAS 155786-93-9) is a chemical compound with molecular formula C28H21N2OPS and molecular weight 464.11124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-cyano-2-(triphenyl-λ5-phosphanylidene)ethanethioyl]benzamide
Also Known As: N-[2-cyano-2-(triphenyl-, UPCMLD0ENAT0506-3786:001, N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide, T0506-3786, 2-benzoylamino-1-cyano-2-thioxoethylidenetriphenylphosphorane
Technical Specifications
| Molecular Formula | C28H21N2OPS |
| Molecular Weight | 464.11124 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.11124 Da |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C#N |
| InChIKey | NGQLNYJGSCPBQM-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide
Property Insights of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide
The XLogP value of 5.6 indicates that N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide. Following Lipinski's Rule of Five, N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide?
The CAS number of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide is 155786-93-9.
What is the molecular formula of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide?
The molecular formula of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide is C28H21N2OPS.
What is the molecular weight of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide?
The molecular weight of N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide is 464.11124 g/mol.
Where can I buy N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide?
You can request a quote for N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide?
Yes, CoreyChem provides custom synthesis services for N-(2-Cyano-2-(triphenylphosphoranylidene)ethanethioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.