| CAS Number | 137049-03-7 |
| Catalog Number | AG01A1FC(AGN-PC-0WO4MF) |
| Chemical Name | 1-propyl-1H-imidazole-4-sulfonyl chloride |
| IUPAC Name | 1-propylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C6H9ClN2O2S/c1-2-3-9-4-6(8-5-9)12(7,10)11/h4-5H,2-3H2,1H3 |
| InChI Key | YXGLZNDBYAQTNN-UHFFFAOYSA-N |
| MDL Number | MFCD19662476 |
| Molecular Formula | C6H9ClN2O2S |
| Molecular Weight | 208.6659 |
| SMILES | CCCN1C=C(S(Cl)(=O)=O)N=C1 |
| Synonyms | 1-propyl-1H-imidazole-4-sulfonyl chloride,
137049-03-7,
SCHEMBL9032483,
ZINC59027444,
AKOS013463660,
NE54588,
F2158-1829,
|
| Complexity | 236 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.66g/mol |
| Monoisotopic Mass | 208.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number