TL;DR: 2-Ethylthioethanethiol (CAS 26750-44-7) is a chemical compound with molecular formula C4H10S2 and molecular weight 122.02239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylsulfanylethanethiol
Also Known As: 2-Ethylthioethanethiol, 2-(ethylsulfanyl)ethane-1-thiol, 2-ethylsulfanylethanethiol, 3-Thia-1-pentanethiol, Ethanethiol,2-(ethylthio)-
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H10S2 |
| Molecular Weight | 122.02239 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.02239 Da |
| Heavy Atoms | 6 |
| Complexity | 21.0 |
| SMILES | CCSCCS |
| InChIKey | IYQVQZXLTJHEKZ-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylthioethanethiol. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylthioethanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylthioethanethiol has 1 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 2-Ethylthioethanethiol is 26750-44-7.
The molecular formula of 2-Ethylthioethanethiol is C4H10S2.
The molecular weight of 2-Ethylthioethanethiol is 122.02239 g/mol.
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