2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate (CHEM342567)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 10:11:15 UTC | ||||||||
| Update Date | 2026-08-31 10:11:15 UTC | ||||||||
| Accession Number | CHEM342567 | ||||||||
| Identification | |||||||||
| Common Name | 2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate is a chemical compound with the formula C27H29NO12S2. With an average molecular weight of 623.70 g/mol, 2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate is a heavy molecule. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C27H29NO12S2 | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 623.113 g/mol | ||||||||
| CAS Registry Number | 70367-99-6 | ||||||||
| IUPAC Name | 2-methylsulfonylethyl 3,3-bis(4-hydroxy-3,5-dimethoxyphenyl)-1,1-dioxo-1,2-benzothiazole-2-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | COC1=CC(=CC(=C1O)OC)C2(C3=CC=CC=C3S(=O)(=O)N2C(=O)OCCS(=O)(=O)C)C4=CC(=C(C(=C4)OC)O)OC | ||||||||
| InChI Identifier | InChI=1S/C27H29NO12S2/c1-36-19-12-16(13-20(37-2)24(19)29)27(17-14-21(38-3)25(30)22(15-17)39-4)18-8-6-7-9-23(18)42(34,35)28(27)26(31)40-10-11-41(5,32)33/h6-9,12-15,29-30H,10-11H2,1-5H3 | ||||||||
| InChI Key | KVGCVFNITCGHPC-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 | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
