| CAS Number | 667901-79-3 |
| Catalog Number | AG019TLM(AGN-PC-0WO8EO) |
| Chemical Name | 4-(Methylsulfamoyl)thiophene-2-carboxylic acid |
| IUPAC Name | 4-(methylsulfamoyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H7NO4S2/c1-7-13(10,11)4-2-5(6(8)9)12-3-4/h2-3,7H,1H3,(H,8,9) |
| InChI Key | AIDXZTNZVZMRHR-UHFFFAOYSA-N |
| MDL Number | MFCD03838937 |
| Molecular Formula | C6H7NO4S2 |
| Molecular Weight | 221.2541 |
| SMILES | CNS(C1C=C(C(O)=O)SC=1)(=O)=O |
| Synonyms | 4-(methylsulfamoyl)thiophene-2-carboxylic acid,
667901-79-3,
N-methyl-2-carboxy-thiophene-4-sulfonylamide,
ZINC70156721,
AKOS010304581,
MCULE-8516443742,
NE28542,
Z740170614,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.245g/mol |
| Monoisotopic Mass | 220.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number