| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:14 UTC |
|---|
| Update Date | 2025-03-25 00:52:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02197119 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11NO2S |
|---|
| Molecular Mass | 197.051 |
|---|
| SMILES | CCC1NS(=O)(=O)c2ccccc21 |
|---|
| InChI Key | CHJQSVFUWAADGG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | organosulfonic acid or derivativesazacycle1,2-benzothiazoleorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
|---|
