187868-29-7
(4-METHYLTHIOPHENYL)METHYL PHENYL SULFONIUM TRIFLATE
Name(4-METHYLTHIOPHENYL)METHYL PHENYL SULFONIUM TRIFLATE
FormulaC14 H15 S2 . C F3 O3 S
1Identification
【Name】
(4-METHYLTHIOPHENYL)METHYL PHENYL SULFONIUM TRIFLATE
【CAS】
【MDL】
MFCD02683570
【English Synonyms】
【Formula】
C14 H15 S2 . C F3 O3 S
【MolWeight】
396.473
【Inchi】
InChI=1S/C14H15S2.CHF3O3S/c1-15-12-8-10-14(11-9-12)16(2)13-6-4-3-5-7-13;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;/p-1
【InChIKey】
InChIKey=OEMQHKIRYKSFQC-UHFFFAOYSA-M
【SMILES】
CSc1ccc(cc1)[S+](C)c2ccccc2.C(F)(F)(F)S(=O)(=O)[O-]
【MOL File】
(4-METHYLTHIOPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-METHYLTHIOPHENYL)METHYL PHENYL SULFONIUM TRIFLATE.cml