| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:39 UTC |
|---|
| Update Date | 2025-03-25 00:46:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02155033 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H17N3S |
|---|
| Molecular Mass | 223.1143 |
|---|
| SMILES | Cc1ccc(CSCCNC(=N)N)cc1 |
|---|
| InChI Key | DGRRFJKRUOOAKG-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 | carboximidamidesdialkylthioethersguanidineshydrocarbon derivativesiminesorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | sulfenyl compoundguanidineiminedialkylthioethercarboximidamideorganosulfur compoundaromatic homomonocyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtoluene |
|---|
