TL;DR: 3,7-Dimethyl-6,7-di(methylthio)octanal (CAS 151101-14-3) is a chemical compound with molecular formula C12H24OS2 and molecular weight 248.12686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-6,7-bis(methylsulfanyl)octanal
Also Known As: 3,7-Dimethyl-6,7-di(methylthio)octanal, 3,7-dimethyl-6,7-bis(methylthio)octanal, 3,7-dimethyl-6,7-bis(methylsulfanyl)octanal
| Molecular Formula | C12H24OS2 |
| Molecular Weight | 248.12686 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.12686 Da |
| Heavy Atoms | 15 |
| Complexity | 180.0 |
| SMILES | CC(CCC(C(C)(C)SC)SC)CC=O |
| InChIKey | WIKXCMJFZGRKLG-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3,7-Dimethyl-6,7-di(methylthio)octanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dimethyl-6,7-di(methylthio)octanal. Following Lipinski's Rule of Five, 3,7-Dimethyl-6,7-di(methylthio)octanal 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 3,7-Dimethyl-6,7-di(methylthio)octanal is 151101-14-3.
The molecular formula of 3,7-Dimethyl-6,7-di(methylthio)octanal is C12H24OS2.
The molecular weight of 3,7-Dimethyl-6,7-di(methylthio)octanal is 248.12686 g/mol.
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