Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate (CHEM080624)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 20:07:10 UTC | ||||||||
| Update Date | 2026-08-22 08:01:21 UTC | ||||||||
| Accession Number | CHEM080624 | ||||||||
| Identification | |||||||||
| Common Name | Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate belongs to the benzothiazoles, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 608.70 g/mol, Sodium 2''-(p-aminophenyl)-6-methyl[2,6':2',6''-terbenzothiazole]-7-sulphonate is a heavy molecule. The compound is characterized by the chemical formula C28H18N4O3S4. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C28H18N4O3S4 | ||||||||
| Average Molecular Mass | 608.700 g/mol | ||||||||
| Monoisotopic Mass | 586.026 g/mol | ||||||||
| CAS Registry Number | 47812-48-6 | ||||||||
| IUPAC Name | 2-[2-[2-(4-aminophenyl)-1,3-benzothiazol-6-yl]-1,3-benzothiazol-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [Na+].CC1=CC=C2N=C(SC2=C1S([O-])(=O)=O)C1=CC=C2N=C(SC2=C1)C1=CC=C2N=C(SC2=C1)C1=CC=C(N)C=C1 | ||||||||
| InChI Identifier | InChI=1/C28H18N4O3S4.Na/c1-14-2-9-21-24(25(14)39(33,34)35)38-28(32-21)17-6-11-20-23(13-17)37-27(31-20)16-5-10-19-22(12-16)36-26(30-19)15-3-7-18(29)8-4-15;/h2-13H,29H2,1H3,(H,33,34,35);/q;+1/p-1 | ||||||||
| InChI Key | AKGLQCZVRWSQHL-UHFFFAOYSA-M | ||||||||
| 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 | |||||||||
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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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
