| CAS Number | 180787-54-6 |
| Catalog Number | AG00AKCV(AGN-PC-0QBWGN) |
| Chemical Name | Dimethyl-2,4-dihydroxyphenylsulfonium triflate |
| IUPAC Name | (2,4-dihydroxyphenyl)-dimethylsulfanium;trifluoromethanesulfonate |
| InChI | InChI=1S/C8H10O2S.CHF3O3S/c1-11(2)8-4-3-6(9)5-7(8)10;2-1(3,4)8(5,6)7/h3-5H,1-2H3,(H-,9,10);(H,5,6,7) |
| InChI Key | IQJLWOZFOHQUIQ-UHFFFAOYSA-N |
| MDL Number | MFCD05864290 |
| Molecular Formula | C9H11F3O5S2 |
| Molecular Weight | 320.3058 |
| SMILES | [O-]S(=O)(=O)C(F)(F)F.C[S+](C1=C(C=C(C=C1)O)O)C |
| Synonyms | Dimethyl-2,4-dihydroxyphenylsulfonium triflate,
180787-54-6,
SCHEMBL6658734,
CTK5I5436,
AKOS026672041,
FS-6079,
(2,4-dihydroxyphenyl)dimethylsulfonium trifluoromethanesulfonate,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.297g/mol |
| Monoisotopic Mass | 320g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number