| CAS Number | 1155908-51-2 |
| Catalog Number | AG01A95A(AGN-PC-0WO78S) |
| Chemical Name | 2-Methyl-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline |
| IUPAC Name | 2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline |
| InChI | InChI=1S/C11H13N3S/c1-8-7-9(3-4-10(8)12)15-11-13-5-6-14(11)2/h3-7H,12H2,1-2H3 |
| InChI Key | XPTRZWPIORYHEL-UHFFFAOYSA-N |
| MDL Number | MFCD12169265 |
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.3060 |
| SMILES | CC1=C(N)C=CC(SC2N(C)C=CN=2)=C1 |
| Synonyms | 2-methyl-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]aniline,
1155908-51-2,
AC1Q3YZE,
ZINC35278535,
AKOS008130446,
MCULE-7956786250,
NE54473,
EN300-64228,
Z1262327556,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.306g/mol |
| Monoisotopic Mass | 219.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number