TL;DR: Ethane, 1-methylthio-2-[(2-chloroethyl)thio]- (CAS 125787-98-6) is a chemical compound with molecular formula C5H11ClS2 and molecular weight 169.99907 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethylsulfanyl)-2-methylsulfanylethane
Also Known As: starbld0026285, (2-Chloroethyl)(2-(methylthio)ethyl)sulfane, Ethane, 1-methylthio-2-[(2-chloroethyl)thio]-, 1-(2-chloroethylsulfanyl)-2-methylsulfanylethane, 1-Chloro-2-([2-(methylsulfanyl)ethyl]sulfanyl)ethane #
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H11ClS2 |
| Molecular Weight | 169.99907 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.99907 Da |
| Heavy Atoms | 8 |
| Complexity | 41.0 |
| SMILES | CSCCSCCCl |
| InChIKey | LSGCLBQBQTUDIN-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethane, 1-methylthio-2-[(2-chloroethyl)thio]-. With a topological polar surface area (TPSA) of 50.6 Ų, Ethane, 1-methylthio-2-[(2-chloroethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethane, 1-methylthio-2-[(2-chloroethyl)thio]- 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-methylthio-2-[(2-chloroethyl)thio]- is 125787-98-6.
The molecular formula of Ethane, 1-methylthio-2-[(2-chloroethyl)thio]- is C5H11ClS2.
The molecular weight of Ethane, 1-methylthio-2-[(2-chloroethyl)thio]- is 169.99907 g/mol.
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