TL;DR: 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one (CAS 107916-92-7) is a chemical compound with molecular formula C14H9NOS2 and molecular weight 271.01254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-(naphthalen-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one, BAS 00490156, (5E)-2-mercapto-5-(2-naphthylmethylene)-1,3-thiazol-4(5H)-one, 4-Thiazolidinone, 5-(2-naphthalenylmethylene)-2-thioxo-, (5Z)-5-(2-naphthylmethylene)-2-thioxo-thiazolidin-4-one
| Molecular Formula | C14H9NOS2 |
| Molecular Weight | 271.01254 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.01254 Da |
| Heavy Atoms | 18 |
| Complexity | 405.0 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)/C=C\3/C(=O)NC(=S)S3 |
| InChIKey | ATGWUPYXIYFRKP-WQLSENKSSA-N |
The XLogP value of 4.0 indicates that 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one. Following Lipinski's Rule of Five, 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one is 107916-92-7.
The molecular formula of 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one is C14H9NOS2.
The molecular weight of 5-Naphthalen-2-ylmethylene-2-thioxo-thiazolidin-4-one is 271.01254 g/mol.
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