TL;DR: 1,2,4-Trithiolane, 3-ethyl-5-methyl- (CAS 116505-59-0) is a chemical compound with molecular formula C5H10S3 and molecular weight 165.99446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-5-methyl-1,2,4-trithiolane
Also Known As: 3-Ethyl-5-methyl-1,2,4-trithiolane, 1,2,4-Trithiolane, 3-ethyl-5-methyl-, 3-ethyl-5-methyl 1,2,4-trithiolane, 3-ethyl-5-methyl-1,2,4-trithiolane, B, 3-ethyl-5-methyl-1,2,4-trithiolane,A
| Molecular Formula | C5H10S3 |
| Molecular Weight | 165.99446 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.99446 Da |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| SMILES | CCC1SC(SS1)C |
| InChIKey | SHLIDHGBMLQTDS-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trithiolane, 3-ethyl-5-methyl-. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Trithiolane, 3-ethyl-5-methyl-. Following Lipinski's Rule of Five, 1,2,4-Trithiolane, 3-ethyl-5-methyl- 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 1,2,4-Trithiolane, 3-ethyl-5-methyl- is 116505-59-0.
The molecular formula of 1,2,4-Trithiolane, 3-ethyl-5-methyl- is C5H10S3.
The molecular weight of 1,2,4-Trithiolane, 3-ethyl-5-methyl- is 165.99446 g/mol.
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