3-METHOXYCARBONYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE
3-METHOXYCARBONYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE structure
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Common Name | 3-METHOXYCARBONYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE | ||
|---|---|---|---|---|
| CAS Number | 67488-50-0 | Molecular Weight | 176.190 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 360.8±42.0 °C at 760 mmHg | |
| Molecular Formula | C6H8O4S | Melting Point | 60-62 °C | |
| MSDS | USA | Flash Point | 172.0±27.9 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 3-Sulfolene-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 360.8±42.0 °C at 760 mmHg |
| Melting Point | 60-62 °C |
| Molecular Formula | C6H8O4S |
| Molecular Weight | 176.190 |
| Flash Point | 172.0±27.9 °C |
| Exact Mass | 176.014328 |
| PSA | 68.82000 |
| LogP | -0.34 |
| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
| Index of Refraction | 1.526 |
| InChIKey | YHHZABJZHHCDNW-UHFFFAOYSA-N |
| SMILES | COC(=O)C1=CCS(=O)(=O)C1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-METHOXYCARBON... CAS#:67488-50-0 |
| Literature: Synthesis, , # 4 p. 507 - 509 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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J.M. McIntosh, R.A. Sieber
J. Org. Chem. 43 , 4431, (1978)
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This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide |
| EINECS 266-700-5 |
| 3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide |
| methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate |
| Methyl 2,5-dihydro-3-thiophenecarboxylate 1,1-dioxide |
| MFCD00042754 |
| 3-METHOXYCARBONYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Methyl 3-Sulfolene-3-carboxylate? |
| A: Polar surface area (PSA) of Methyl 3-Sulfolene-3-carboxylate is 68.82000. |
| Q: What English synonyms does Methyl 3-Sulfolene-3-carboxylate have? |
| A: English synonyms of Methyl 3-Sulfolene-3-carboxylate: Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide, EINECS 266-700-5, 3-Thiophenecarboxylic acid, 2,5-dihydro-, methyl ester, 1,1-dioxide, methyl 1,1-dioxo-2,5-dihydrothiophene-3-carboxylate, Methyl 2,5-dihydro-3-thiophenecarboxylate 1,1-dioxide, MFCD00042754, 3-METHOXYCARBONYL-2,5-DIHYDROTHIOPHENE-1,1-DIOXIDE. |
| Q: What is the InChIKey of Methyl 3-Sulfolene-3-carboxylate? |
| A: InChIKey of Methyl 3-Sulfolene-3-carboxylate is YHHZABJZHHCDNW-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of Methyl 3-Sulfolene-3-carboxylate? |
| A: SMILES notation of Methyl 3-Sulfolene-3-carboxylate is COC(=O)C1=CCS(=O)(=O)C1. |
| Q: What is the boiling point of Methyl 3-Sulfolene-3-carboxylate? |
| A: Boiling point of Methyl 3-Sulfolene-3-carboxylate is 360.8±42.0 °C at 760 mmHg. |
| Q: What is the molecular weight of Methyl 3-Sulfolene-3-carboxylate? |
| A: Molecular weight of Methyl 3-Sulfolene-3-carboxylate is 176.190. |
| Q: What is the molecular formula of Methyl 3-Sulfolene-3-carboxylate? |
| A: Molecular formula of Methyl 3-Sulfolene-3-carboxylate is C6H8O4S. |
| Q: What is the LogP of Methyl 3-Sulfolene-3-carboxylate? |
| A: LogP of Methyl 3-Sulfolene-3-carboxylate is -0.34. |
| Q: What is the English name of Methyl 3-Sulfolene-3-carboxylate? |
| A: The English name of Methyl 3-Sulfolene-3-carboxylate is Methyl 3-Sulfolene-3-carboxylate. |
| Q: What is the safety information for Methyl 3-Sulfolene-3-carboxylate? |
| A: Safety information for Methyl 3-Sulfolene-3-carboxylate: S22-S24/25. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |