| CAS Number | 852217-79-9 |
| Catalog Number | AG019O2I |
| Chemical Name | 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol |
| IUPAC Name | 4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione |
| InChI | InChI=1S/C9H16N2S/c1-6(2)5-11-8(4)7(3)10-9(11)12/h6H,5H2,1-4H3,(H,10,12) |
| InChI Key | SKEGRXRYZCXTSK-UHFFFAOYSA-N |
| MDL Number | MFCD24388841 |
| Molecular Formula | C9H16N2S |
| Molecular Weight | 184.3017 |
| SMILES | CC(CN1C(S)=NC(C)=C1C)C |
| Synonyms | 4,5-dimethyl-1-(2-methylpropyl)-1H-imidazole-2-thiol,
852217-79-9,
1-isobutyl-4,5-dimethyl-1,3-dihydro-2H-imidazole-2-thione,
AC1NLPX9,
AC1Q1PKY,
CTK6A8278,
HMS1781P14,
ZINC4205467,
AKOS034636893,
MCULE-4475724430,
NE18402,
EN300-12577,
Z85922626,
4,5-dimethyl-3-(2-methylpropyl)-1H-imidazole-2-thione,
ZINC04205467,
CID4961975,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.301g/mol |
| Monoisotopic Mass | 184.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number