![1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one structure](/static/products/1512/151221-98-6.webp)
1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one
TL;DR: 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one (CAS 151221-98-6) is a chemical compound with molecular formula C13H18OS and molecular weight 222.10783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-tert-butylphenyl)sulfanylpropan-2-one
Also Known As: 1-[(4-tert-butylphenyl)sulfanyl]propan-2-one, UCE6, KST-1B0606, 1-(4-tert-butylphenyl)sulfanylpropan-2-one, 4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline
Technical Specifications
| Molecular Formula | C13H18OS |
| Molecular Weight | 222.10783 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.10783 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | CC(=O)CSC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | FYQFRDATIPSZSY-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one
Property Insights of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one
The XLogP value of 3.9 indicates that 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-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, 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-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 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one?
The CAS number of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one is 151221-98-6.
What is the molecular formula of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one?
The molecular formula of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one is C13H18OS.
What is the molecular weight of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one?
The molecular weight of 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one is 222.10783 g/mol.
Where can I buy 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one?
You can request a quote for 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-[(4-Tert-butylphenyl)sulfanyl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.