6-(Phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one (CHEM075196)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 14:02:50 UTC | ||||||||
| Update Date | 2026-04-04 14:02:50 UTC | ||||||||
| Accession Number | CHEM075196 | ||||||||
| Identification | |||||||||
| Common Name | 6-(Phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 6-(Phenylthio)-2-thioxo-2,3-dihydro-4H-1,3,5-thiadiazin-4-one belongs to the aryl thioethers, a subclass of thioethers within the organic compounds. It is an organosulfur compound with the chemical formula C9H6N2O1S3 and an average molecular weight of 254.34 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C9H6N2O1S3 | ||||||||
| Average Molecular Mass | 254.340 g/mol | ||||||||
| Monoisotopic Mass | 253.964 g/mol | ||||||||
| CAS Registry Number | 78972-35-7 | ||||||||
| IUPAC Name | 6-phenylsulfanyl-2-sulfanylidene-1,3,5-thiadiazin-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | O=C1NC(=S)SC(SC2=CC=CC=C2)=N1 | ||||||||
| InChI Identifier | InChI=1S/C9H6N2OS3/c12-7-10-8(13)15-9(11-7)14-6-4-2-1-3-5-6/h1-5H,(H,10,12,13) | ||||||||
| InChI Key | LRIJHTTZIWLUKH-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
