| CAS Number | 937629-33-9 |
| Catalog Number | AG019MSE(AGN-PC-0WOBE7) |
| Chemical Name | 4-(methylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| IUPAC Name | 4-(methylsulfamoyl)-1H-pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C6H8N2O4S/c1-7-13(11,12)4-2-5(6(9)10)8-3-4/h2-3,7-8H,1H3,(H,9,10) |
| InChI Key | UNNWTKUDCGCDIT-UHFFFAOYSA-N |
| MDL Number | MFCD09053121 |
| Molecular Formula | C6H8N2O4S |
| Molecular Weight | 204.2037 |
| SMILES | CNS(C1C=C(C(O)=O)NC=1)(=O)=O |
| Synonyms | 4-(methylsulfamoyl)-1H-pyrrole-2-carboxylic acid,
937629-33-9,
4-[(methylamino)sulfonyl]-1H-pyrrole-2-carboxylic acid,
AC1Q41DL,
CTK6I5754,
ZINC22160159,
AKOS000136109,
MCULE-6954138581,
EN300-37128,
AB00996615-01,
Z381357692,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.2g/mol |
| Monoisotopic Mass | 204.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number