9-(4-chlorophenyl)-5-methyl-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene (CHEM301742)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-28 23:31:24 UTC | ||||||||
| Update Date | 2026-08-28 23:31:24 UTC | ||||||||
| Accession Number | CHEM301742 | ||||||||
| Identification | |||||||||
| Common Name | 9-(4-chlorophenyl)-5-methyl-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene | ||||||||
| Class | Small Molecule | ||||||||
| Description | 9-(4-chlorophenyl)-5-methyl-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene belongs to the thienodiazepines, a class of organoheterocyclic compounds within the organic compounds. It has the formula C17H15ClN2S and an average molecular weight of 314.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H15ClN2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 314.064 g/mol | ||||||||
| CAS Registry Number | 137052-95-0 | ||||||||
| IUPAC Name | 9-(4-chlorophenyl)-5-methyl-3-thia-1,8-diazatricyclo[8.3.0.02,6]trideca-2(6),4,10,12-tetraene | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=CSC2=C1CNC(C3=CC=CN32)C4=CC=C(C=C4)Cl | ||||||||
| InChI Identifier | InChI=1S/C17H15ClN2S/c1-11-10-21-17-14(11)9-19-16(15-3-2-8-20(15)17)12-4-6-13(18)7-5-12/h2-8,10,16,19H,9H2,1H3 | ||||||||
| InChI Key | QEXQCZRSOCAXTD-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 | ||||||||
