S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate (CHEM330170)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 15:53:54 UTC | ||||||||
| Update Date | 2026-08-30 15:53:54 UTC | ||||||||
| Accession Number | CHEM330170 | ||||||||
| Identification | |||||||||
| Common Name | S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate | ||||||||
| Class | Small Molecule | ||||||||
| Description | S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate is a chemical compound with the formula C23H17ClN6O2S2. With an average molecular weight of 509.00 g/mol, S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C23H17ClN6O2S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 508.054 g/mol | ||||||||
| CAS Registry Number | 127227-39-8 | ||||||||
| IUPAC Name | S-[5-[5-hydroxy-4-[(z)-indol-3-ylidenemethyl]-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(2-chloroanilino)ethanethioate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=CC=C3Cl)O)C=C4C=NC5=CC=CC=C54 | ||||||||
| InChI Identifier | InChI=1S/C23H17ClN6O2S2/c1-13-27-19(10-14-11-25-17-8-4-2-6-15(14)17)21(32)30(13)22-28-29-23(34-22)33-20(31)12-26-18-9-5-3-7-16(18)24/h2-11,26,32H,12H2,1H3/b14-10+ | ||||||||
| InChI Key | PDKMBBJIVQPBTP-GXDHUFHOSA-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 | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
