2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate (CHEM316816)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-29 20:05:25 UTC | ||||||||
| Update Date | 2026-08-29 20:05:25 UTC | ||||||||
| Accession Number | CHEM316816 | ||||||||
| Identification | |||||||||
| Common Name | 2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate is a compound with the formula C20H17Cl2N5O2S. It has an average molecular weight of 462.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C20H17Cl2N5O2S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 461.048 g/mol | ||||||||
| CAS Registry Number | 33979-43-0 | ||||||||
| IUPAC Name | 2-[n-(2-cyanoethyl)-4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl acetate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=NC3=CC(=C(C=C3S2)Cl)Cl | ||||||||
| InChI Identifier | InChI=1S/C20H17Cl2N5O2S/c1-13(28)29-10-9-27(8-2-7-23)15-5-3-14(4-6-15)25-26-20-24-18-11-16(21)17(22)12-19(18)30-20/h3-6,11-12H,2,8-10H2,1H3 | ||||||||
| InChI Key | QRXUCDVMWAKUQV-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 | ||||||||
| 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 | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
