TL;DR: 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- (CAS 120388-36-5) is a chemical compound with molecular formula C14H24O2S and molecular weight 256.1497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(butylsulfanylmethyl)-5-pentyl-3H-furan-2-one
Also Known As: 3-((Butylthio)methyl)-5-pentyl-2(3H)-furanone, 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl-, 3-(butylsulfanylmethyl)-5-pentyl-3H-furan-2-one, 3-[(Butylsulfanyl)methyl]-5-pentylfuran-2(3H)-one, BRN 3544813
| Molecular Formula | C14H24O2S |
| Molecular Weight | 256.1497 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 256.1497 Da |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
| SMILES | CCCCCC1=CC(C(=O)O1)CSCCCC |
| InChIKey | ICARFUGLDOVGDJ-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- 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 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- is 120388-36-5.
The molecular formula of 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- is C14H24O2S.
The molecular weight of 2(3H)-Furanone, 3-((butylthio)methyl)-5-pentyl- is 256.1497 g/mol.
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