| CAS Number | 72119-98-3 |
| Catalog Number | AG019TLB |
| Chemical Name | 1-methyl-5-(propan-2-yl)-1H-imidazole-2-thiol |
| IUPAC Name | 3-methyl-4-propan-2-yl-1H-imidazole-2-thione |
| InChI | InChI=1S/C7H12N2S/c1-5(2)6-4-8-7(10)9(6)3/h4-5H,1-3H3,(H,8,10) |
| InChI Key | PXWHRKFZXYAKNC-UHFFFAOYSA-N |
| MDL Number | MFCD20431004 |
| Molecular Formula | C7H12N2S |
| Molecular Weight | 156.2486 |
| SMILES | CC(C1N(C)C(S)=NC=1)C |
| Synonyms | 1-methyl-5-(propan-2-yl)-1H-imidazole-2-thiol,
72119-98-3,
1-methyl-5-(propan-2-yl)-2,3-dihydro-1H-imidazole-2-thione,
PXWHRKFZXYAKNC-UHFFFAOYSA-N,
STL451580,
ZINC39240960,
AKOS014192581,
AKOS024015548,
MCULE-3849388991,
NE21853,
Z1318268678,
1-methyl-5-(propan-2-yl)-1,3-dihydro-2H-imidazole-2-thione,
2H-imidazole-2-thione, 1,3-dihydro-1-methyl-5-(1-methylethyl)-,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.247g/mol |
| Monoisotopic Mass | 156.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number