TL;DR: 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- (CAS 125039-11-4) is a chemical compound with molecular formula C8H15NOS and molecular weight 173.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,5,6-tetramethyl-1,3-oxazinane-2-thione
Also Known As: 4,4,5,6-Tetramethyl-1,3-oxazinane-2-thione, BAS 00346325, 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl-, 4,4,5,6-Tetramethyl-[1,3]oxazinane-2-thione, 4,4,5,6-Tetramethyl-1,3-oxazinane-2-thione #
| Molecular Formula | C8H15NOS |
| Molecular Weight | 173.08743 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08743 Da |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
| SMILES | CC1C(OC(=S)NC1(C)C)C |
| InChIKey | JATVHRJLAQDUMJ-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl-. With a topological polar surface area (TPSA) of 53.4 Ų, 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- is 125039-11-4.
The molecular formula of 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- is C8H15NOS.
The molecular weight of 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,5,6-tetramethyl- is 173.08743 g/mol.
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