10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione (CHEM282551)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-27 22:55:22 UTC | ||||||||
| Update Date | 2026-08-27 22:55:22 UTC | ||||||||
| Accession Number | CHEM282551 | ||||||||
| Identification | |||||||||
| Common Name | 10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione | ||||||||
| Class | Small Molecule | ||||||||
| Description | 10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione belongs to the triazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C13H10N6OS and an average molecular weight of 298.33 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C13H10N6OS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 298.064 g/mol | ||||||||
| CAS Registry Number | 141300-36-9 | ||||||||
| IUPAC Name | 10-(4-methoxyphenyl)-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=S)C=NN4 | ||||||||
| InChI Identifier | InChI=1S/C13H10N6OS/c1-20-9-4-2-8(3-5-9)18-7-15-19-12(21)10-6-14-17-11(10)16-13(18)19/h2-7H,1H3,(H,14,17) | ||||||||
| InChI Key | QMKLTYOWSWWWPN-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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| Toxicity Profile | |||||||||
| 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 | ||||||||
