| CAS Number | 156461-79-9 |
| Catalog Number | AG01A3TG |
| Chemical Name | 3-methanesulfonyl-N-methylaniline |
| IUPAC Name | N-methyl-3-methylsulfonylaniline |
| InChI | InChI=1S/C8H11NO2S/c1-9-7-4-3-5-8(6-7)12(2,10)11/h3-6,9H,1-2H3 |
| InChI Key | CYSBKMAGWFJGLN-UHFFFAOYSA-N |
| MDL Number | MFCD12024691 |
| Molecular Formula | C8H11NO2S |
| Molecular Weight | 185.2434 |
| SMILES | CNC1=CC(S(C)(=O)=O)=CC=C1 |
| Synonyms | 3-methanesulfonyl-N-methylaniline,
156461-79-9,
N-methyl-3-(methylsulfonyl)benzenamine,
SCHEMBL2719549,
ZINC62796676,
AKOS012392075,
NE22770,
DA-09850,
FT-0728514,
N-methyl-3-methylsulfonyl-aniline,
CID11074093,
771573-22-9,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.241g/mol |
| Monoisotopic Mass | 185.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number