TL;DR: Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- (CAS 73928-10-6) is a chemical compound with molecular formula C16H20N2O8S2 and molecular weight 432.0661 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,5-triacetyloxy-1,6-diisothiocyanatohexan-2-yl) acetate
Also Known As: Tadtm, Tetraacetyl DTM, 1,6-Dithiocyanato-2,3,4,5-tetraacetylmannitol, 2,3,4,5-Tetraacetyl-1,6-dithiocyano-1,6-dideoxy-D-mannitol, 1,6-Dideoxy-1,6-dithiocyanato-D-mannitol 2,3,4,5-tetraacetate
| Molecular Formula | C16H20N2O8S2 |
| Molecular Weight | 432.0661 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 432.0661 Da |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
| SMILES | CC(=O)OC(CN=C=S)C(C(C(CN=C=S)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | WZWNBDCFQCLSHY-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)-. The TPSA of 194.0 Ų indicates high polarity, suggesting Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- is 73928-10-6.
The molecular formula of Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- is C16H20N2O8S2.
The molecular weight of Mannitol, 1,6-dideoxy-1,6-dithiocyanato-, 2,3,4,5-tetraacetate, (D)- is 432.0661 g/mol.
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