| CAS Number | 32279-04-2 |
| Catalog Number | AG003LJS(AGN-PC-0R7M90) |
| Chemical Name | 4-Hydroxyphenyldimethylsulfonium Methyl Sulfate |
| IUPAC Name | (4-hydroxyphenyl)-dimethylsulfanium;methyl sulfate |
| InChI | InChI=1S/C8H10OS.CH4O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5-6(2,3)4/h3-6H,1-2H3;1H3,(H,2,3,4) |
| InChI Key | PKQZVASULXKBJV-UHFFFAOYSA-N |
| MDL Number | MFCD08276380 |
| Molecular Formula | C9H14O5S2 |
| Molecular Weight | 266.3345 |
| SMILES | O=S(=O)([O-])OC.OC1=CC=C(C=C1)[S+](C)C |
| Synonyms | 4-Hydroxyphenyldimethylsulfonium Methyl Sulfate,
32279-04-2,
ACMC-209hs7,
SCHEMBL285230,
CTK1C0826,
DTXSID30620038,
PKQZVASULXKBJV-UHFFFAOYSA-N,
ANW-27317,
MFCD08276380,
p-dimethylsulfoniophenol methylsulfate,
AKOS015856683,
ACM32279042,
TR-013599,
4-hydroxyphenyldimethyl-sulfonium methyl sulfate,
Dimethyl-4-hydroxyphenylsulfonium Methyl Sulfate,
(4-Hydroxyphenyl)(dimethyl)sulfanium methyl sulfate,
I14-101541,
4-hydroxyphenyldimethylsulfoniummethylsulfate,
H1022,
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| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.326g/mol |
| Monoisotopic Mass | 266.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 96A^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