TL;DR: O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate (CAS 1005046-30-9) is a chemical compound with molecular formula C30H57O3PS and molecular weight 528.3766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-sulfanylidene-λ5-phosphane
Also Known As: O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate, F0369-0007, O,O,O-tris(2-isopropyl-5-methylcyclohexyl) phosphorothioate, 3-(di-p-menthan-3-yloxyphosphorothioyloxy)-p-menthane, tris[(5-methyl-2-propan-2-ylcyclohexyl)oxy]-sulfanylidene-
| Molecular Formula | C30H57O3PS |
| Molecular Weight | 528.3766 g/mol |
| XLogP | 11.7 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.3766 Da |
| Heavy Atoms | 35 |
| Complexity | 605.0 |
| SMILES | CC1CCC(C(C1)OP(=S)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C)C(C)C |
| InChIKey | TWFZQYUQVTYADM-UHFFFAOYSA-N |
The XLogP value of 11.7 indicates that O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is 1005046-30-9.
The molecular formula of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is C30H57O3PS.
The molecular weight of O,O,O-tris[5-methyl-2-(propan-2-yl)cyclohexyl] phosphorothioate is 528.3766 g/mol.
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