| CAS Number | 1154733-37-5 |
| Catalog Number | AG019TV6 |
| Chemical Name | 2-methanesulfonyl-N-(propan-2-yl)aniline |
| IUPAC Name | 2-methylsulfonyl-N-propan-2-ylaniline |
| InChI | InChI=1S/C10H15NO2S/c1-8(2)11-9-6-4-5-7-10(9)14(3,12)13/h4-8,11H,1-3H3 |
| InChI Key | QPOHPSYDNRFUAA-UHFFFAOYSA-N |
| MDL Number | MFCD12173834 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CC(NC1=C(S(C)(=O)=O)C=CC=C1)C |
| Synonyms | 2-methanesulfonyl-N-(propan-2-yl)aniline,
1154733-37-5,
SCHEMBL12139315,
ZINC35186284,
AKOS009153123,
MCULE-2895191689,
NE31161,
Z285777804,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number