TL;DR: Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)- (CAS 132149-36-1) is a chemical compound with molecular formula C19H32N4O4S and molecular weight 412.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
Also Known As: 3'(3(TetraMeBu)thioureido)-3'dT, 3'[3(TetraMeBu)thioureido]-3'dT, Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)-, 3'-(3-(1,1,3,3-Tetramethylbutyl)thioureido)-3'-deoxythymidine, 3'-[3-(1,1,3,3-Tetramethylbutyl)thioureido]-3'-deoxythymidine
| Molecular Formula | C19H32N4O4S |
| Molecular Weight | 412.21442 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.21442 Da |
| Heavy Atoms | 28 |
| Complexity | 671.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=S)NC(C)(C)CC(C)(C)C |
| InChIKey | AFCADQKDXPEXAY-BFHYXJOUSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)-. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)- has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)- is 132149-36-1.
The molecular formula of Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)- is C19H32N4O4S.
The molecular weight of Thymidine, 3'-deoxy-3'-((((1,1,3,3-tetramethylbutyl)amino)thioxomethyl)amino)- is 412.21442 g/mol.
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