| Canonical Smiles | CC(=O)NC1=NN=C(S1)S(=O)(=O)O |
|---|---|
| IUPAC Name | 5-acetamido-1,3,4-thiadiazole-2-sulfonic acid |
| InChIKey | YLYWNBBQDHCLJL-UHFFFAOYSA-N |
| INCHI | 1S/C4H5N3O4S2/c1-2(8)5-3-6-7-4(12-3)13(9,10)11/h1H3,(H,5,6,8)(H,9,10,11) |
| Isomeric SMILES | CC(=O)NC1=NN=C(S1)S(=O)(=O)O |
| PubChem CID | 56924023 |
| Molecular Weight | 223.2 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Arylsulfonic acids and derivatives |
| Alternative Parents | N-acetylarylamines Thiadiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Arylsulfonic acid or derivatives - N-acetylarylamine - N-arylamide - Azole - Heteroaromatic compound - Organosulfonic acid - Acetamide - Sulfonyl - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as arylsulfonic acids and derivatives. These are organic compounds containing an aryl group attached to the sulfonic acid group (or a derivative thereof). |
| External Descriptors | Not available |
| Molecular Weight | 223.200 g/mol |
|---|---|
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 222.972 Da |
| Monoisotopic Mass | 222.972 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 297.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
