S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate
TL;DR: S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate (CAS 15223-20-8) is a chemical compound with molecular formula C8H7F3O2S2 and molecular weight 255.98396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(trifluoromethylsulfanylsulfonyl)benzene
Also Known As: S-Trifluoromethyl p-toluenethiosulfonate, s-(trifluoromethyl) 4-methylbenzenesulfonothioate, 4-Methylbenzene-1-thiosulfonic acid S-trifluoromethyl ester, 1-methyl-4-(trifluoromethylsulfanylsulfonyl)benzene, p-Toluenesulfonic acid, thio-, S-trifluoromethyl ester
Technical Specifications
| Molecular Formula | C8H7F3O2S2 |
| Molecular Weight | 255.98396 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.98396 Da |
| Heavy Atoms | 15 |
| Complexity | 297.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SC(F)(F)F |
| InChIKey | BMWAIPXLPUNZLV-UHFFFAOYSA-N |
Chemical Property Profile of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate
Property Insights of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate
The XLogP value of 3.2 indicates that S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate. Following Lipinski's Rule of Five, S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate?
The CAS number of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate is 15223-20-8.
What is the molecular formula of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate?
The molecular formula of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate is C8H7F3O2S2.
What is the molecular weight of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate?
The molecular weight of S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate is 255.98396 g/mol.
Where can I buy S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate?
You can request a quote for S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate?
Yes, CoreyChem provides custom synthesis services for S-(Trifluoromethyl) 4-methylbenzene-1-sulfonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.