TL;DR: [(Methylthio)propyl]pyrazine (CAS 144514-04-5) is a chemical compound with molecular formula C8H12N2S and molecular weight 168.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylsulfanylpropyl)pyrazine
Also Known As: [(methylthio)propyl]pyrazine|2-(3-(methylthio)propyl)pyrazine|2-(3-methylsulfanylpropyl)pyrazine|QWZQTCWSFURDKY-UHFFFAOYSA-N
| Molecular Formula | C8H12N2S |
| Molecular Weight | 168.07211 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07211 Da |
| Heavy Atoms | 11 |
| Complexity | 98.0 |
| SMILES | CSCCCC1=NC=CN=C1 |
| InChIKey | QWZQTCWSFURDKY-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Methylthio)propyl]pyrazine. With a topological polar surface area (TPSA) of 51.1 Ų, [(Methylthio)propyl]pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Methylthio)propyl]pyrazine 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 [(Methylthio)propyl]pyrazine is 144514-04-5.
The molecular formula of [(Methylthio)propyl]pyrazine is C8H12N2S.
The molecular weight of [(Methylthio)propyl]pyrazine is 168.07211 g/mol.
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