| CAS Number | 1609399-85-0 |
| Catalog Number | AG00J231(AGN-PC-0WB6N8) |
| Chemical Name | 3-Sulfamoylthiophene-2-carboxylic acid hydrate |
| IUPAC Name | 3-sulfamoylthiophene-2-carboxylic acid;hydrate |
| InChI | InChI=1S/C5H5NO4S2.H2O/c6-12(9,10)3-1-2-11-4(3)5(7)8;/h1-2H,(H,7,8)(H2,6,9,10);1H2 |
| InChI Key | RENOJXULZZEDET-UHFFFAOYSA-N |
| MDL Number | MFCD26959459 |
| Molecular Formula | C5H7NO5S2 |
| Molecular Weight | 225.2428 |
| SMILES | C1(C=CSC=1C(O)=O)S(N)(=O)=O.O |
| Synonyms | 1609399-85-0,
3-(Aminosulfonyl)-2-thiophenecarboxylic acid hydrate,
3-Sulfamoylthiophene-2-carboxylic acid hydrate,
ZX-CM007795,
MFCD26959459,
AKOS027426588,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.233g/mol |
| Monoisotopic Mass | 224.977g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number