| Canonical Smiles | C1=CC(=CC=C1NC2=NN=NS2)O |
|---|---|
| IUPAC Name | 4-(thiatriazol-5-ylamino)phenol |
| InChIKey | HSMPDEMRJJNQME-UHFFFAOYSA-N |
| INCHI | 1S/C7H6N4OS/c12-6-3-1-5(2-4-6)8-7-9-10-11-13-7/h1-4,12H,(H,8,9,11) |
| Isomeric SMILES | C1=CC(=CC=C1NC2=NN=NS2)O |
| PubChem CID | 90174 |
| Molecular Weight | 194.22 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | p-Aminophenols 1-hydroxy-2-unsubstituted benzenoids Triazoles Thiatriazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminophenol - P-aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Heteroaromatic compound - Triazole - 1,2,3,4-thiatriazole - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 194.220 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 194.026 Da |
| Monoisotopic Mass | 194.026 Da |
| Topological Polar Surface Area | 99.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
