TL;DR: Pyridine, 3-((pentylthio)methyl)- (CAS 102206-72-4) is a chemical compound with molecular formula C11H17NS and molecular weight 195.10817 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(pentylsulfanylmethyl)pyridine
Also Known As: 3-((Pentylthio)methyl)pyridine, Pyridine, 3-((pentylthio)methyl)-, 3-(Pentylthiomethyl)pyridine, 3-(pentylsulfanylmethyl)pyridine, 3-[(PENTYLSULFANYL)METHYL]PYRIDINE
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.10817 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 195.10817 Da |
| Heavy Atoms | 13 |
| Complexity | 117.0 |
| SMILES | CCCCCSCC1=CN=CC=C1 |
| InChIKey | HUAICTNUOVBHSK-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Pyridine, 3-((pentylthio)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, Pyridine, 3-((pentylthio)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-((pentylthio)methyl)- has 0 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 Pyridine, 3-((pentylthio)methyl)- is 102206-72-4.
The molecular formula of Pyridine, 3-((pentylthio)methyl)- is C11H17NS.
The molecular weight of Pyridine, 3-((pentylthio)methyl)- is 195.10817 g/mol.
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