4-Methylphenyl ethane(dithioperoxoate)
TL;DR: 4-Methylphenyl ethane(dithioperoxoate) (CAS 14227-19-1) is a chemical compound with molecular formula C9H10OS2 and molecular weight 198.0173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(4-methylphenyl)sulfanyl ethanethioate
Also Known As: Acetyl p-tolyl disulfide, S-p-Tolyl dithioperoxyacetate, Acetyl(p-methylphenyl) persulfide, Acetyl-p-methylphenyl-disulfid, S-(4-methylphenyl)sulfanyl ethanethioate
Technical Specifications
| Molecular Formula | C9H10OS2 |
| Molecular Weight | 198.0173 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0173 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | CC1=CC=C(C=C1)SSC(=O)C |
| InChIKey | MWBSATMSRDPDDN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylphenyl ethane(dithioperoxoate)
Property Insights of 4-Methylphenyl ethane(dithioperoxoate)
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl ethane(dithioperoxoate). The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylphenyl ethane(dithioperoxoate). Following Lipinski's Rule of Five, 4-Methylphenyl ethane(dithioperoxoate) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylphenyl ethane(dithioperoxoate)?
The CAS number of 4-Methylphenyl ethane(dithioperoxoate) is 14227-19-1.
What is the molecular formula of 4-Methylphenyl ethane(dithioperoxoate)?
The molecular formula of 4-Methylphenyl ethane(dithioperoxoate) is C9H10OS2.
What is the molecular weight of 4-Methylphenyl ethane(dithioperoxoate)?
The molecular weight of 4-Methylphenyl ethane(dithioperoxoate) is 198.0173 g/mol.
Where can I buy 4-Methylphenyl ethane(dithioperoxoate)?
You can request a quote for 4-Methylphenyl ethane(dithioperoxoate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphenyl ethane(dithioperoxoate)?
Yes, CoreyChem provides custom synthesis services for 4-Methylphenyl ethane(dithioperoxoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.