| CAS Number | 482333-74-4 |
| Catalog Number | AG01ENVP(AGN-PC-0RYYT5) |
| Chemical Name | Saccharin 1-methylimidazole |
| IUPAC Name | 1,1-dioxo-1,2-benzothiazol-3-one;1-methylimidazole |
| InChI | InChI=1S/C7H5NO3S.C4H6N2/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;1-6-3-2-5-4-6/h1-4H,(H,8,9);2-4H,1H3 |
| InChI Key | DMSNKRPEUQVMNF-UHFFFAOYSA-N |
| MDL Number | MFCD31657257 |
| Molecular Formula | C11H11N3O3S |
| Molecular Weight | 265.2883 |
| SMILES | CN1C=NC=C1.S1(NC(C2=C1C=CC=C2)=O)(=O)=O |
| Synonyms | Saccharin 1-methylimidazole,
482333-74-4,
saccharin-1-methylimidazole-smi,
SCHEMBL3697403,
BCP19838,
AKOS032945182,
AK685836,
HY-112060,
CS-0043223,
A16114,
Saccharin 1-methylimidazole (SMI),
CID9813926,
IUPAC: 9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one; 1-methylimidazole,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.287g/mol |
| Monoisotopic Mass | 265.052g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number