| CAS Number | 1340300-24-4 |
| Catalog Number | AG019SMX(AGN-PC-0WCN2O) |
| Chemical Name | 1-methyl-2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 1-methyl-2-propan-2-ylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C7H11ClN2O2S/c1-5(2)7-9-6(4-10(7)3)13(8,11)12/h4-5H,1-3H3 |
| InChI Key | VVBVSGJCTVHRGF-UHFFFAOYSA-N |
| MDL Number | MFCD19663586 |
| Molecular Formula | C7H11ClN2O2S |
| Molecular Weight | 222.6924 |
| SMILES | CC(C1N(C)C=C(S(Cl)(=O)=O)N=1)C |
| Synonyms | 1-methyl-2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride,
1340300-24-4,
2-isopropyl-1-methyl-1H-imidazole-4-sulfonyl chloride,
SCHEMBL20760849,
AKOS013469999,
ZINC100651076,
MCULE-8427759648,
EN300-94354,
L-4345,
F2158-1831,
1-methyl-2-propan-2-ylimidazole-4-sulfonyl chloride,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.687g/mol |
| Monoisotopic Mass | 222.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number