| CAS Number | 127820-38-6 |
| Catalog Number | AG000XFG(AGN-PC-0PIN10) |
| Chemical Name | Sulfonium, tris(4-methylphenyl)-, trifluoromethanesulfonate (1:1) |
| IUPAC Name | trifluoromethanesulfonate;tris(4-methylphenyl)sulfanium |
| InChI | InChI=1S/C21H21S.CHF3O3S/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1 |
| InChI Key | ZZJNLOGMYQURDL-UHFFFAOYSA-M |
| MDL Number | MFCD06797188 |
| Molecular Formula | C22H21F3O3S2 |
| Molecular Weight | 454.5255 |
| SMILES | [O-]S(=O)(=O)C(F)(F)F.Cc1ccc(cc1)[S+](c1ccc(C)cc1)c1ccc(C)cc1 |
| Synonyms | Tri-p-tolylsulfonium Trifluoromethanesulfonate,
127820-38-6,
Tri-p-tolylsulfonium Triflate,
ACMC-209bcy,
Tri-p-tolylsulfoniumTrifluoromethanesulfonate,
SCHEMBL36224,
CTK8A9948,
DTXSID10619001,
KS-000015YU,
ANW-18992,
MFCD06797188,
AKOS015853045,
TR-003965,
trifluoromethanesulfonate;tris(4-methylphenyl)sulfanium,
Tris(4-methylphenyl)sulfanium trifluoromethanesulfonate,
Tris(4-methylphenyl)sulfonium Trifluoromethanesulfonate,
TRI-PARA-TOLYLSULFONIUM TRIFLUOROMETHANESULFONATE,
T2042,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 454.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 454.522g/mol |
| Monoisotopic Mass | 454.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number