| CAS Number | 86810-81-3 |
| Catalog Number | AG019RDF(AGN-PC-00K9AI) |
| Chemical Name | 4-(2-Methylpropane-2-sulfonyl)aniline |
| IUPAC Name | 4-tert-butylsulfonylaniline |
| InChI | InChI=1S/C10H15NO2S/c1-10(2,3)14(12,13)9-6-4-8(11)5-7-9/h4-7H,11H2,1-3H3 |
| InChI Key | VXTGHQVOJWLPSI-UHFFFAOYSA-N |
| MDL Number | MFCD16622224 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CC(S(C1=CC=C(N)C=C1)(=O)=O)(C)C |
| Synonyms | 4-(2-methylpropane-2-sulfonyl)aniline,
86810-81-3,
4-(tert-butylsulfonyl)aniline,
AC1Q1NHO,
SCHEMBL2478666,
ZINC57218791,
AKOS022651159,
MCULE-1427680918,
NE38466,
EN300-89524,
Z1801307747,
|
| Complexity | 276 |
| 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 | 2 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number