TL;DR: (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one (CAS 1160484-92-3) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazinan-4-one
Also Known As: (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one, (5Z)-5-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZINAN-4-ONE, BRD-K42834456-001-01-4, (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylidene-1,3-thiazinan-4-one, (5Z)-5-[[4-(dimethylamino)phenyl]methylene]-2-thioxo-1,3-thiazinan-4-one
| Molecular Formula | C13H14N2OS2 |
| Molecular Weight | 278.05475 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.05475 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\CSC(=S)NC2=O |
| InChIKey | JJIHTWZCDRSIKT-JXMROGBWSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one. Following Lipinski's Rule of Five, (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one has 1 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 (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one is 1160484-92-3.
The molecular formula of (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one is C13H14N2OS2.
The molecular weight of (5Z)-5-[4-(dimethylamino)benzylidene]-2-thioxo-1,3-thiazinan-4-one is 278.05475 g/mol.
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