TL;DR: 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 138597-56-5) is a chemical compound with molecular formula C11H10N2OS2 and molecular weight 250.02345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-3-((2-methylbenzylidene)amino)-2-thioxothiazolidin-4-one, 3-[(1E)-2-(2-methylphenyl)-1-azavinyl]-2-thioxo-1,3-thiazolidin-4-one, 3-{(E)-[(2-Methylphenyl)methylidene]amino}-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C11H10N2OS2 |
| Molecular Weight | 250.02345 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 90.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.02345 Da |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
| SMILES | CC1=CC=CC=C1/C=N/N2C(=O)CSC2=S |
| InChIKey | HBUGRCOVSYDWCW-WUXMJOGZSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is 138597-56-5.
The molecular formula of 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is C11H10N2OS2.
The molecular weight of 3-[(E)-(2-methylphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is 250.02345 g/mol.
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