Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-21 00:17:56 UTC |
---|
Update Date | 2025-03-21 18:35:22 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00105291 |
---|
Frequency | 25.7 |
---|
Structure | |
---|
Chemical Formula | C5H11NOS2 |
---|
Molecular Mass | 165.0282 |
---|
SMILES | C[SH](O)CCCN=C=S |
---|
InChI Key | ISYCBMSOZHUCHS-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | organosulfur compounds |
---|
Class | isothiocyanates |
---|
Subclass | isothiocyanates |
---|
Direct Parent | isothiocyanates |
---|
Geometric Descriptor | aliphatic acyclic compounds |
---|
Alternative Parents | alkylthiolshydrocarbon derivativesorganic oxygen compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
---|
Substituents | aliphatic acyclic compoundisothiocyanateorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic 1,3-dipolar compoundorganic nitrogen compoundalkylthiolpropargyl-type 1,3-dipolar organic compound |
---|