TL;DR: (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide (CAS 1164471-78-6) is a chemical compound with molecular formula C15H21N3OS2 and molecular weight 323.1126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(dimethylamino)phenyl]-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide
Also Known As: (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide, 1-(4-dimethylaminophenyl)-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide, 5-[(Z)-[4-(dimethylamino)benzylidene](oxido)-lambda~5~-azanyl]-3,4,4-trimethyl-1,3-thiazolidine-2-thione
| Molecular Formula | C15H21N3OS2 |
| Molecular Weight | 323.1126 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1126 Da |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
| SMILES | CC1(C(SC(=S)N1C)/[N+](=C/C2=CC=C(C=C2)N(C)C)/[O-])C |
| InChIKey | RWYBCMBCDOFZJB-ZDLGFXPLSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide. Following Lipinski's Rule of Five, (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide 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 (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 1164471-78-6.
The molecular formula of (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is C15H21N3OS2.
The molecular weight of (Z)-N-(4-(dimethylamino)benzylidene)-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 323.1126 g/mol.
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