| CAS Number | 75794-23-9 |
| Catalog Number | AG01A988 |
| Chemical Name | 4-(tert-butylsulfanyl)-2-methylaniline |
| IUPAC Name | 4-tert-butylsulfanyl-2-methylaniline |
| InChI | InChI=1S/C11H17NS/c1-8-7-9(5-6-10(8)12)13-11(2,3)4/h5-7H,12H2,1-4H3 |
| InChI Key | CSPFOQLVTBPZLH-UHFFFAOYSA-N |
| MDL Number | MFCD12169280 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | CC1=C(N)C=CC(SC(C)(C)C)=C1 |
| Synonyms | 4-(tert-butylsulfanyl)-2-methylaniline,
75794-23-9,
AC1Q2FKY,
ZINC35278624,
AKOS008130449,
MCULE-8315019312,
NE32056,
EN300-64442,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.324g/mol |
| Monoisotopic Mass | 195.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number