TL;DR: Ethane, 1,1-bis(ethylthio)- (CAS 14252-42-7) is a chemical compound with molecular formula C6H14S2 and molecular weight 150.0537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-bis(ethylsulfanyl)ethane
Also Known As: 1,1-Bis(ethylsulfanyl)ethane, Ethane, 1,1-bis(ethylthio)-, Acetaldehyde diethyl mercaptal, Formaldehyde diethylthioacetal, 1,1-bis(Ethylthio)ethane
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H14S2 |
| Molecular Weight | 150.0537 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 150.0537 Da |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
| SMILES | CCSC(C)SCC |
| InChIKey | CIYDRAJJTMIKGP-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane, 1,1-bis(ethylthio)-. With a topological polar surface area (TPSA) of 50.6 Ų, Ethane, 1,1-bis(ethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 1,1-bis(ethylthio)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethane, 1,1-bis(ethylthio)- is 14252-42-7.
The molecular formula of Ethane, 1,1-bis(ethylthio)- is C6H14S2.
The molecular weight of Ethane, 1,1-bis(ethylthio)- is 150.0537 g/mol.
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