TL;DR: Pyrazine, 2-[(methylthio)methyl]- (CAS 59021-03-3) is a chemical compound with molecular formula C6H8N2S and molecular weight 140.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(methylsulfanylmethyl)pyrazine
Also Known As: pyrazine, 2-[(methylthio)methyl]-, (Methylthio)pyrazine, 2-Methylthiopyrazine, 2-((Methylthio)methyl)pyrazine, ((Methylthio)methyl)pyrazine
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H8N2S |
| Molecular Weight | 140.04082 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.04082 Da |
| Heavy Atoms | 9 |
| Complexity | 77.0 |
| SMILES | CSCC1=NC=CN=C1 |
| InChIKey | PNGHTEYYARFCTE-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazine, 2-[(methylthio)methyl]-. With a topological polar surface area (TPSA) of 51.1 Ų, Pyrazine, 2-[(methylthio)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazine, 2-[(methylthio)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 Pyrazine, 2-[(methylthio)methyl]- is 59021-03-3.
The molecular formula of Pyrazine, 2-[(methylthio)methyl]- is C6H8N2S.
The molecular weight of Pyrazine, 2-[(methylthio)methyl]- is 140.04082 g/mol.
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