METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE

Modify Date: 2025-08-26 08:41:41

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure
METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE structure
Common Name METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE
CAS Number 35212-85-2 Molecular Weight 207.24900
Density 1.352g/cm3 Boiling Point 363.1ºC at 760 mmHg
Molecular Formula C10H9NO2S Melting Point 107-108ºC
MSDS N/A Flash Point 173.4ºC

 Names

Name methyl 3-amino-1-benzothiophene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.352g/cm3
Boiling Point 363.1ºC at 760 mmHg
Melting Point 107-108ºC
Molecular Formula C10H9NO2S
Molecular Weight 207.24900
Flash Point 173.4ºC
Exact Mass 207.03500
PSA 80.56000
LogP 2.85130
Index of Refraction 1.688
InChIKey VLHHEYMZLXKSQO-UHFFFAOYSA-N
SMILES COC(=O)c1sc2ccccc2c1N

 Safety Information

HS Code 2934999090

 Synthetic Route

~90%

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure

METHYL 3-AMINOB...

CAS#:35212-85-2

Literature: KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY Patent: WO2009/48274 A2, 2009 ; Location in patent: Page/Page column 22 ;

~67%

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure

METHYL 3-AMINOB...

CAS#:35212-85-2

Literature: Romagnoli, Romeo; Baraldi, Pier Giovanni; Kimatrai Salvador, Maria; Preti, Delia; Aghazadeh Tabrizi, Mojgan; Bassetto, Marcella; Brancale, Andrea; Hamel, Ernest; Castagliuolo, Ignazio; Bortolozzi, Roberta; Basso, Giuseppe; Viola, Giampietro Journal of Medicinal Chemistry, 2013 , vol. 56, # 6 p. 2606 - 2618

~%

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure

METHYL 3-AMINOB...

CAS#:35212-85-2

Literature: US3950525 A1, ;

~%

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure

METHYL 3-AMINOB...

CAS#:35212-85-2

Literature: Journal of Medicinal Chemistry, , vol. 50, # 20 p. 4898 - 4908

~%

METHYL 3-AMINOBENZO[B]THIOPHENE-2-CARBOXYLATE Structure

METHYL 3-AMINOB...

CAS#:35212-85-2

Literature: Synthesis, , # 8 art. no. Z54010SS, p. 1314 - 1318

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

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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
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
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
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
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
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.
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
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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
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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 Synonyms

methyl 3-aminobenzothiophene-2-carboxylate
Methyl 3-aminobenzo[b]thiophene-2-carboxylate
3-amino-2-carbomethoxy-benzothiophene
methyl 3-aminobenzo<b>thiophene-2-carboxylate
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