| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:46 UTC |
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| Update Date | 2025-03-25 00:50:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182552 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClN3O4S3 |
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| Molecular Mass | 338.9209 |
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| SMILES | O=S(=O)(N=C=S)c1cc2c(cc1Cl)NCNS2(=O)=O |
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| InChI Key | OWHNGOMAGDCGQN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesisothiocyanatesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylaminessulfonyl isothiocyanates |
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| Substituents | organosulfonic acid or derivativesisothiocyanateorganochlorideorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidearyl chlorideazacyclesecondary aminesulfonyl isothiocyanatesecondary aliphatic/aromatic aminearyl halidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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