| CAS Number | 793678-94-1 |
| Catalog Number | AG019NNL |
| Chemical Name | 1-(2,4-dimethylphenyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol |
| IUPAC Name | 3-(2,4-dimethylphenyl)-4-(4-methylphenyl)-1H-imidazole-2-thione |
| InChI | InChI=1S/C18H18N2S/c1-12-4-7-15(8-5-12)17-11-19-18(21)20(17)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3,(H,19,21) |
| InChI Key | HWFDVUZANJFRNO-UHFFFAOYSA-N |
| MDL Number | MFCD06363468 |
| Molecular Formula | C18H18N2S |
| Molecular Weight | 294.4139 |
| SMILES | CC1=CC=C(C2N(C3=C(C)C=C(C)C=C3)C(S)=NC=2)C=C1 |
| Synonyms | 1-(2,4-dimethylphenyl)-5-(4-methylphenyl)-1H-imidazole-2-thiol,
793678-94-1,
AC1NLPBS,
AC1Q2K1L,
CTK6B8088,
CTK8F2635,
ZINC3434755,
AKOS005199305,
MCULE-6557239025,
NE24047,
EN300-11295,
Z57041979,
3-(2,4-dimethylphenyl)-4-(4-methylphenyl)-1H-imidazole-2-thione,
ZINC03434755,
CID4961578,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.416g/mol |
| Monoisotopic Mass | 294.119g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number