1-(Methylsulfonyl)-5-(methylthio)naphthalene
TL;DR: 1-(Methylsulfonyl)-5-(methylthio)naphthalene (CAS 54616-10-3) is a chemical compound with molecular formula C12H12O2S2 and molecular weight 252.02788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methylsulfanyl-5-methylsulfonylnaphthalene
Also Known As: 1-(METHYLSULFONYL)-5-(METHYLTHIO)NAPHTHALENE, 1-methylsulfanyl-5-methylsulfonylnaphthalene, J1.617.917E, 1-methanesulfonyl-5-(methylsulfanyl)naphthalene, 1-(Methanesulfonyl)-5-(methylsulfanyl)naphthalene
Technical Specifications
| Molecular Formula | C12H12O2S2 |
| Molecular Weight | 252.02788 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.02788 Da |
| Heavy Atoms | 16 |
| Complexity | 331.0 |
| SMILES | CSC1=CC=CC2=C1C=CC=C2S(=O)(=O)C |
| InChIKey | SXXDWSKVAICVPK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Methylsulfonyl)-5-(methylthio)naphthalene
Property Insights of 1-(Methylsulfonyl)-5-(methylthio)naphthalene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfonyl)-5-(methylthio)naphthalene. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Methylsulfonyl)-5-(methylthio)naphthalene. Following Lipinski's Rule of Five, 1-(Methylsulfonyl)-5-(methylthio)naphthalene 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 1-(Methylsulfonyl)-5-(methylthio)naphthalene?
The CAS number of 1-(Methylsulfonyl)-5-(methylthio)naphthalene is 54616-10-3.
What is the molecular formula of 1-(Methylsulfonyl)-5-(methylthio)naphthalene?
The molecular formula of 1-(Methylsulfonyl)-5-(methylthio)naphthalene is C12H12O2S2.
What is the molecular weight of 1-(Methylsulfonyl)-5-(methylthio)naphthalene?
The molecular weight of 1-(Methylsulfonyl)-5-(methylthio)naphthalene is 252.02788 g/mol.
Where can I buy 1-(Methylsulfonyl)-5-(methylthio)naphthalene?
You can request a quote for 1-(Methylsulfonyl)-5-(methylthio)naphthalene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Methylsulfonyl)-5-(methylthio)naphthalene?
Yes, CoreyChem provides custom synthesis services for 1-(Methylsulfonyl)-5-(methylthio)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.