TL;DR: S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate (CAS 63979-92-0) is a chemical compound with molecular formula C10H14O2S3 and molecular weight 262.0156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate
| Molecular Formula | C10H14O2S3 |
| Molecular Weight | 262.0156 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 262.0156 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CC(=O)SCC=CSC=CCSC(=O)C |
| InChIKey | STEAHRMZOBVQGD-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate. Following Lipinski's Rule of Five, S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is 63979-92-0.
The molecular formula of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is C10H14O2S3.
The molecular weight of S-[3-(3-acetylsulfanylprop-1-enylsulfanyl)prop-2-enyl] ethanethioate is 262.0156 g/mol.
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