3-[2-[(e)-[3-[(e)-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid (CHEM347481)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 17:22:45 UTC | ||||||||
| Update Date | 2026-08-31 17:22:45 UTC | ||||||||
| Accession Number | CHEM347481 | ||||||||
| Identification | |||||||||
| Common Name | 3-[2-[(e)-[3-[(e)-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H37N2O5S3+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 613.186 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 3-[2-[(e)-[3-[(e)-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCN1C2=CC(=C(C=C2SC1=CC3=CC(=CC4=[N+](C5=CC=CC=C5S4)CCCS(=O)(=O)O)CC(C3)(C)C)OC)OC | ||||||||
| InChI Identifier | InChI=1S/C31H36N2O5S3/c1-6-32-24-17-25(37-4)26(38-5)18-28(24)40-29(32)15-21-14-22(20-31(2,3)19-21)16-30-33(12-9-13-41(34,35)36)23-10-7-8-11-27(23)39-30/h7-8,10-11,14-18H,6,9,12-13,19-20H2,1-5H3/p+1 | ||||||||
| InChI Key | RAAKOKNSYIYVMK-UHFFFAOYSA-O | ||||||||
| 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 | ||||||||
| Spectra | |||||||||
| Spectra |
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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 | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
