| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:52 UTC |
|---|
| Update Date | 2025-03-25 00:45:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150840 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N2S |
|---|
| Molecular Mass | 222.1191 |
|---|
| SMILES | CNC(=NCCSC)c1ccccc1C |
|---|
| InChI Key | GAZPFKCILJJTKO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | toluenes |
|---|
| Direct Parent | toluenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | amidinescarboximidamidesdialkylthioethershydrocarbon derivativesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
|---|
| Substituents | sulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundamidinecarboximidamideorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluene |
|---|
