TL;DR: 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene (CAS 153215-22-6) is a chemical compound with molecular formula C23H22S and molecular weight 330.14423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-[(Z)-3-(4-methylphenyl)-2-phenylsulfanylprop-1-enyl]benzene
Also Known As: 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene, (1,3-Di-p-tolylprop-1-en-2-yl)(phenyl)sulfane, 1-methyl-4-[(Z)-2-phenylsulfanyl-3-(p-tolyl)allyl]benzene, 1-methyl-4-[(Z)-3-(4-methylphenyl)-2-phenylsulfanylprop-1-enyl]benzene, 1-methyl-4-[3-(4-methylphenyl)-2-phenylsulfanyl-prop-2-enyl]benzene
| Molecular Formula | C23H22S |
| Molecular Weight | 330.14423 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 330.14423 Da |
| Heavy Atoms | 24 |
| Complexity | 377.0 |
| SMILES | CC1=CC=C(C=C1)C/C(=C/C2=CC=C(C=C2)C)/SC3=CC=CC=C3 |
| InChIKey | TXRQNDJKZYZDBR-KQWNVCNZSA-N |
The XLogP value of 7.1 indicates that 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene is 153215-22-6.
The molecular formula of 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene is C23H22S.
The molecular weight of 1-Methyl-4-[3-(4-methylphenyl)-2-(phenylsulfanyl)prop-2-en-1-yl]benzene is 330.14423 g/mol.
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