| CAS Number | 1146294-71-4 |
| Catalog Number | AG019Z2O(AGN-PC-0WO3HY) |
| Chemical Name | 4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid |
| IUPAC Name | 4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid |
| InChI | InChI=1S/C8H11NO5S/c1-5-7(15(12,13)9(2)3)4-6(14-5)8(10)11/h4H,1-3H3,(H,10,11) |
| InChI Key | YDYSZRWIHKNHPB-UHFFFAOYSA-N |
| MDL Number | MFCD11868847 |
| Molecular Formula | C8H11NO5S |
| Molecular Weight | 233.2416 |
| SMILES | CN(S(C1=C(C)OC(C(O)=O)=C1)(=O)=O)C |
| Synonyms | 4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid,
1146294-71-4,
ZINC32500912,
AKOS012098901,
MCULE-5555343512,
NE22986,
Z1404660414,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.238g/mol |
| Monoisotopic Mass | 233.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 96.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number