| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:39 UTC |
|---|
| Update Date | 2025-03-25 00:59:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234790 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5NO2S2 |
|---|
| Molecular Mass | 198.9762 |
|---|
| SMILES | O=S(O)c1ccc(N=C=S)cc1 |
|---|
| InChI Key | GCRXAWVINBLUAL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesisothiocyanatesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfinic acids |
|---|
| Substituents | isothiocyanatemonocyclic benzene moietysulfinic acid derivativeorganic 1,3-dipolar compoundorganosulfur compoundsulfinic acidpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound |
|---|
