TL;DR: 1-(Dodecylthio)-2-propanol (CAS 82412-31-5) is a chemical compound with molecular formula C15H32OS and molecular weight 260.21738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-dodecylsulfanylpropan-2-ol
Also Known As: 1-(Dodecylthio)-2-propanol, Dodecyl hydroxypropyl sulfide, 1-dodecylsulfanylpropan-2-ol, 2-Propanol, 1-(dodecylthio)-, 1-(DODECYLSULFANYL)PROPAN-2-OL
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H32OS |
| Molecular Weight | 260.21738 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 260.21738 Da |
| Heavy Atoms | 17 |
| Complexity | 139.0 |
| SMILES | CCCCCCCCCCCCSCC(C)O |
| InChIKey | WDDZBOVSJYUUHL-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 1-(Dodecylthio)-2-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 1-(Dodecylthio)-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dodecylthio)-2-propanol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(Dodecylthio)-2-propanol is 82412-31-5.
The molecular formula of 1-(Dodecylthio)-2-propanol is C15H32OS.
The molecular weight of 1-(Dodecylthio)-2-propanol is 260.21738 g/mol.
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