| CAS Number | 1045822-31-8 |
| Catalog Number | AG00IMIN(AGN-PC-0WQUNX) |
| Chemical Name | N-Methyl-N-[(trifluoromethyl)thio]-p-toluenesulfonamide |
| IUPAC Name | N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide |
| InChI | InChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3 |
| InChI Key | IYHCILKSORKFNW-UHFFFAOYSA-N |
| MDL Number | MFCD29763020 |
| Molecular Formula | C9H10F3NO2S2 |
| Molecular Weight | 285.3064 |
| SMILES | CN(S(=O)(=O)C1=CC=C(C)C=C1)SC(F)(F)F |
| Synonyms | N-Methyl-N-[(trifluoromethyl)thio]-p-toluenesulfonamide,
1045822-31-8,
ZINC140520014,
M2782,
N-Methyl-N-(trifluoromethylthio)-4-methylbenzenesulfonamide,
N,4-dimethyl-N-[(trifluoromethyl)sulfanyl]benzene-1-sulfonamide,
|
| Complexity | 342 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.299g/mol |
| Monoisotopic Mass | 285.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number