(5z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CHEM347216)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 16:57:53 UTC | ||||||||
| Update Date | 2026-08-31 16:57:53 UTC | ||||||||
| Accession Number | CHEM347216 | ||||||||
| Identification | |||||||||
| Common Name | (5z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | (5z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a chemical compound with the formula C31H27N3O4S2. With an average molecular weight of 569.70 g/mol, (5z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H27N3O4S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 569.144 g/mol | ||||||||
| CAS Registry Number | 623935-29-5 | ||||||||
| IUPAC Name | (5z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 | ||||||||
| InChI Identifier | InChI=1S/C31H27N3O4S2/c1-2-3-15-36-25-12-10-22(11-13-25)29-23(19-34(32-29)24-7-5-4-6-8-24)17-28-30(35)33(31(39)40-28)18-21-9-14-26-27(16-21)38-20-37-26/h4-14,16-17,19H,2-3,15,18,20H2,1H3/b28-17- | ||||||||
| InChI Key | URKOPHAVGVPHRW-QRQIAZFYSA-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 | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
