| CAS Number | 31218-79-8 |
| Catalog Number | AG01FFH9(AGN-PC-0KKMU2) |
| Chemical Name | 4-Ethylphenylmethylsulfone |
| IUPAC Name | 1-ethyl-4-methylsulfonylbenzene |
| InChI | InChI=1S/C9H12O2S/c1-3-8-4-6-9(7-5-8)12(2,10)11/h4-7H,3H2,1-2H3 |
| InChI Key | FUXCCEDMMZBTRW-UHFFFAOYSA-N |
| MDL Number | MFCD03789186 |
| Molecular Formula | C9H12O2S |
| Molecular Weight | 184.2554 |
| SMILES | CCc1ccc(cc1)S(=O)(=O)C |
| Synonyms | 4-Ethylphenylmethylsulfone,
31218-79-8,
1-ethyl-4-methanesulfonylbenzene,
AC1MBZ5P,
p-ethylphenyl methyl sulfone,
Methyl p-ethylphenyl sulfone,
SCHEMBL172035,
1-ethyl-4-methylsulfonylbenzene,
KS-00003KFR,
ZINC2511103,
AKOS006278644,
FS-1599,
1-ethyl-4-methylsulfonyl-benzene,
CID2758888,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.253g/mol |
| Monoisotopic Mass | 184.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number