| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:58:01 UTC |
|---|
| Update Date | 2025-03-25 00:52:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02196628 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O2S |
|---|
| Molecular Mass | 238.0776 |
|---|
| SMILES | CCC(C)NC1=NS(=O)(=O)c2ccccc21 |
|---|
| InChI Key | MGIRBANNLABJTP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazoles |
|---|
| Subclass | benzothiazoles |
|---|
| Direct Parent | benzothiazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amidinesazacyclic compoundsbenzenoidshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsorganosulfonic acids and derivatives |
|---|
| Substituents | organosulfonic acid or derivativesazacycleamidine1,2-benzothiazoleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactam |
|---|
