| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:50:41 UTC |
|---|
| Update Date | 2025-03-21 18:02:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00040128 |
|---|
| Frequency | 86.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12S |
|---|
| Molecular Mass | 152.066 |
|---|
| SMILES | CSCc1ccc(C)cc1 |
|---|
| InChI Key | LMWQBORWKRUWCL-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 | dialkylthioethershydrocarbon derivativessulfenyl compounds |
|---|
| Substituents | aromatic homomonocyclic compoundsulfenyl compoundthioetherdialkylthioetherhydrocarbon derivativeorganosulfur compoundtoluene |
|---|
