| CAS Number | 1182942-88-6 |
| Catalog Number | AG019PSA |
| Chemical Name | 2-Methyl-3-[(propan-2-ylsulfanyl)methyl]aniline |
| IUPAC Name | 2-methyl-3-(propan-2-ylsulfanylmethyl)aniline |
| InChI | InChI=1S/C11H17NS/c1-8(2)13-7-10-5-4-6-11(12)9(10)3/h4-6,8H,7,12H2,1-3H3 |
| InChI Key | ZMHDEGPQOFBTNS-UHFFFAOYSA-N |
| MDL Number | MFCD12801197 |
| Molecular Formula | C11H17NS |
| Molecular Weight | 195.3244 |
| SMILES | CC(SCC1=C(C)C(N)=CC=C1)C |
| Synonyms | 2-methyl-3-[(propan-2-ylsulfanyl)methyl]aniline,
1182942-88-6,
ZINC37685533,
AKOS010106072,
MCULE-9838879460,
NE19517,
EN300-86317,
Z1262237473,
|
| Complexity | 147 |
| 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 | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number