| CAS Number | 479552-18-6 |
| Catalog Number | AG00DKTC(AGN-PC-0KK84Z) |
| Chemical Name | 1-Methyl-1H-imidazole-5-sulfonyl chloride |
| IUPAC Name | 3-methylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C4H5ClN2O2S/c1-7-3-6-2-4(7)10(5,8)9/h2-3H,1H3 |
| InChI Key | IUCGUPGXVCRGRV-UHFFFAOYSA-N |
| MDL Number | MFCD09065021 |
| Molecular Formula | C4H5ClN2O2S |
| Molecular Weight | 180.6127 |
| SMILES | CN1C(S(Cl)(=O)=O)=CN=C1 |
| Synonyms | 479552-18-6,
1-Methyl-1H-imidazole-5-sulfonyl chloride,
1H-Imidazole-5-sulfonyl chloride, 1-methyl-,
3-methylimidazole-4-sulfonyl Chloride,
3-methyl-3H-imidazole-4-sulfonyl chloride,
AC1MC6GP,
SCHEMBL999067,
AKOS006230307,
CID2736888,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.606g/mol |
| Monoisotopic Mass | 179.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number