| Canonical Smiles | C1=C(N=NS1)C(=O)NN |
|---|---|
| IUPAC Name | thiadiazole-4-carbohydrazide |
| InChIKey | GBBQRNGEDIWRJI-UHFFFAOYSA-N |
| INCHI | 1S/C3H4N4OS/c4-5-3(8)2-1-9-7-6-2/h1H,4H2,(H,5,8) |
| Isomeric SMILES | C1=C(N=NS1)C(=O)NN |
| PubChem CID | 72720 |
| Molecular Weight | 144.16 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiadiazoles |
| Alternative Parents | Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Thiadiazole - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms. |
| External Descriptors | Not available |
| Melt Point(°C) | 207-209° |
|---|---|
| Molecular Weight | 144.160 g/mol |
| XLogP3 | -0.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 144.011 Da |
| Monoisotopic Mass | 144.011 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| 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 |
