| CAS Number | 1334000-30-4 |
| Catalog Number | AG01AKLB(AGN-PC-0WO2K3) |
| Chemical Name | 2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 2-propan-2-yl-1H-imidazole-5-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-4(2)6-8-3-5(9-6)12(7,10)11/h3-4H,1-2H3,(H,8,9) |
| InChI Key | ZWCLNNHXJPARMB-UHFFFAOYSA-N |
| MDL Number | MFCD19663587 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CC(C1NC=C(S(Cl)(=O)=O)N=1)C |
| Synonyms | 2-(propan-2-yl)-1H-imidazole-4-sulfonyl chloride,
1334000-30-4,
AKOS013470203,
ZINC100640283,
NE49117,
EN300-84502,
2-Isopropyl-1H-imidazole-4-sulfonyl chloride,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number