TL;DR: Decane, 1,10-bis(methylthio)- (CAS 100393-11-1) is a chemical compound with molecular formula C12H26S2 and molecular weight 234.1476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,10-bis(methylsulfanyl)decane
Also Known As: Decane, 1,10-bis(methylthio)-, 1,10-bis(methylsulfanyl)decane, 1,10-bis-methylsulfanyl-decane
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H26S2 |
| Molecular Weight | 234.1476 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 234.1476 Da |
| Heavy Atoms | 14 |
| Complexity | 82.0 |
| SMILES | CSCCCCCCCCCCSC |
| InChIKey | JVLHSHUUJRICTH-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Decane, 1,10-bis(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Decane, 1,10-bis(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Decane, 1,10-bis(methylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Decane, 1,10-bis(methylthio)- is 100393-11-1.
The molecular formula of Decane, 1,10-bis(methylthio)- is C12H26S2.
The molecular weight of Decane, 1,10-bis(methylthio)- is 234.1476 g/mol.
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