| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:45 UTC |
|---|
| Update Date | 2025-03-21 18:28:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00073536 |
|---|
| Frequency | 40.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H13N2S+ |
|---|
| Molecular Mass | 145.0794 |
|---|
| SMILES | C[N+](C)(C)CCN=C=S |
|---|
| InChI Key | FAQSMVKNSQWVSN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic nitrogen compounds |
|---|
| Class | organonitrogen compounds |
|---|
| Subclass | quaternary ammonium salts |
|---|
| Direct Parent | tetraalkylammonium salts |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | amineshydrocarbon derivativesisothiocyanatesorganic cationsorganic saltsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundisothiocyanatetetraalkylammonium saltorganosulfur compoundorganopnictogen compoundhydrocarbon derivativeorganic cationorganic saltamine |
|---|
