Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate (CHEM345724)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 14:34:25 UTC | ||||||||
| Update Date | 2026-08-31 14:34:25 UTC | ||||||||
| Accession Number | CHEM345724 | ||||||||
| Identification | |||||||||
| Common Name | Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate is a chemical compound with the formula C29H39NO5S. With an average molecular weight of 513.70 g/mol, Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C29H39NO5S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 513.255 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | Ethyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethyl]-4-[(dimethylamino)methyl]-5-hydroxy-1-benzofuran-3-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN(C)C)CSC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C | ||||||||
| InChI Identifier | InChI=1S/C29H39NO5S/c1-10-34-27(33)25-23(35-22-12-11-21(31)18(24(22)25)15-30(8)9)16-36-17-13-19(28(2,3)4)26(32)20(14-17)29(5,6)7/h11-14,31-32H,10,15-16H2,1-9H3 | ||||||||
| InChI Key | ZWDIWVZXNTVXST-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 | ||||||||
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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 | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
