3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester
3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester structure
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Common Name | 3(2H)-Benzothiazoleacetic acid, 2-oxo-, ethyl ester | ||
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| CAS Number | 951-41-7 | Molecular Weight | 237.27500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H11NO3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate |
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| 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.
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.27500 |
| Exact Mass | 237.04600 |
| PSA | 76.54000 |
| LogP | 1.62610 |
| InChIKey | QKPHEMXJJWXMRK-UHFFFAOYSA-N |
| SMILES | CCOC(=O)Cn1c(=O)sc2ccccc21 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~75%
3(2H)-Benzothia... CAS#:951-41-7 |
| Literature: D'Amico, John J.; Bollinger, Frederick G. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1183 - 1190 |
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~43%
3(2H)-Benzothia... CAS#:951-41-7 |
| Literature: Dogruer, Deniz Songuel; Uenlue, Serdar; Sahin, Mustafa Fethi; Yesilada, Erdem Farmaco, 1998 , vol. 53, # 1 p. 80 - 84 |
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~%
3(2H)-Benzothia... CAS#:951-41-7 |
| Literature: Duendar, Yasemin; Onurdag, Fatma Kaynak; Onkol, Tijen Asian Journal of Chemistry, 2013 , vol. 25, # 1 p. 225 - 230 |
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~%
3(2H)-Benzothia... CAS#:951-41-7 |
| Literature: Allen; Van Allan Journal of Organic Chemistry, 1948 , vol. 13, p. 603,605 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(carbethoxymethyl)-2-benzothiazoline |
| ethyl (benzothiazol-2(3H)-one-3-yl)acetate |
| ethyl 2-oxo-3-benzothiazolineacetate |
| ethyl 2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetate |
| (2-oxo-benzothiazol-3-yl)-acetic acid ethyl ester |
| HMS2456G08 |
| ethyl [2(3H)-benzothiazolinone-3-yl]acetate |
| ethyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate |
| HMS1695C08 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the Chinese name of 951-41-7? |
| A: Chinese name of 951-41-7 is 951-41-7. |
| Q: What is the CAS number of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: CAS number of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 951-41-7. |
| Q: What is the polar surface area (PSA) of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: Polar surface area (PSA) of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 76.54000. |
| Q: What is the SMILES notation of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: SMILES notation of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is CCOC(=O)Cn1c(=O)sc2ccccc21. |
| Q: What is the molecular formula of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: Molecular formula of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is C11H11NO3S. |
| Q: What is the English name of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: The English name of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate. |
| Q: What is the InChIKey of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: InChIKey of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is QKPHEMXJJWXMRK-UHFFFAOYSA-N. |
| Q: What English synonyms does ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate have? |
| A: English synonyms of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate: 3-(carbethoxymethyl)-2-benzothiazoline, ethyl (benzothiazol-2(3H)-one-3-yl)acetate, ethyl 2-oxo-3-benzothiazolineacetate, ethyl 2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetate, (2-oxo-benzothiazol-3-yl)-acetic acid ethyl ester, HMS2456G08, ethyl [2(3H)-benzothiazolinone-3-yl]acetate, ethyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, HMS1695C08. |
| Q: What is the LogP of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: LogP of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 1.62610. |
| Q: What is the molecular weight of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate? |
| A: Molecular weight of ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 237.27500. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |