| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:41 UTC |
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| Update Date | 2025-03-21 18:04:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052073 |
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| Frequency | 62.6 |
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| Structure | |
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| Chemical Formula | C12H18N2OS2 |
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| Molecular Mass | 270.0861 |
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| SMILES | CN(C)Cc1ccc(CSCCCN=C=S)o1 |
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| InChI Key | PBDDSOLYPNSSBG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | aralkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | dialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesisothiocyanatesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundstrialkylamines |
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| Substituents | furanisothiocyanatesulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundtertiary aliphatic amineorganic 1,3-dipolar compoundorganosulfur compoundaralkylaminepropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxygen compoundthioetherorganopnictogen compoundhydrocarbon derivativetertiary amineorganoheterocyclic compoundorganooxygen compound |
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