![3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one structure](/static/products/1065/106576-42-5.webp)
3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one
TL;DR: 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one (CAS 106576-42-5) is a chemical compound with molecular formula C16H14OS and molecular weight 254.07654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)sulfanyl-1-phenylprop-2-en-1-one
Also Known As: 3-[(4-methylphenyl)thio]-1-phenyl-2-propen-1-one, 3-(4-methylphenyl)sulfanyl-1-phenylprop-2-en-1-one, 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one
Technical Specifications
| Molecular Formula | C16H14OS |
| Molecular Weight | 254.07654 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07654 Da |
| Heavy Atoms | 18 |
| Complexity | 283.0 |
| SMILES | CC1=CC=C(C=C1)SC=CC(=O)C2=CC=CC=C2 |
| InChIKey | JIGCTQPJIYHTJG-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one
Property Insights of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one
The XLogP value of 4.3 indicates that 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one?
The CAS number of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one is 106576-42-5.
What is the molecular formula of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one?
The molecular formula of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one is C16H14OS.
What is the molecular weight of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one?
The molecular weight of 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one is 254.07654 g/mol.
Where can I buy 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one?
You can request a quote for 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Methylphenyl)sulfanyl]-1-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.