TL;DR: 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- (CAS 100371-91-3) is a chemical compound with molecular formula C13H15NOS2 and molecular weight 265.0595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dithione
Also Known As: L 2075, 4-27-00-03353 (Beilstein Handbook Reference), 5-ethyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dithione, L-2075, Dihydro-5-ethyl-3-methyl-5-phenyl-2H-1,3-oxazine-2,4(3H)-dithione
| Molecular Formula | C13H15NOS2 |
| Molecular Weight | 265.0595 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.0595 Da |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
| SMILES | CCC1(COC(=S)N(C1=S)C)C2=CC=CC=C2 |
| InChIKey | BYEPMGUVSKSOPS-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl-. Following Lipinski's Rule of Five, 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- is 100371-91-3.
The molecular formula of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- is C13H15NOS2.
The molecular weight of 2H-1,3-Oxazine-2,4(3H)-dithione, dihydro-5-ethyl-3-methyl-5-phenyl- is 265.0595 g/mol.
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