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CAS Number: 4506-71-2
ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Structure

 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Name: ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Synonyms:
General Information
Product Number: 4506712
CAS Registry Number: 4506-71-2
Name:
        Benzo[b]​thiophene-​3-​carboxylic acid, 2-​amino-​4,​5,​6,​7-​tetrahydro-​, ethyl ester
        2-​Amino-​3-​(ethoxycarbonyl)​-​4,​5-​tetramethylenethioph​ene; 2-​Amino-​3-​carboethoxy-​4,​5-​tetramethylenethioph​ene; 2-​Amino-​3-​ethoxycarbonyl-​4,​5,​6,​7-​tetrahydrobenzo[b]​thiophene; 2-​Amino-​4,​5,​6,​7-​tetrahydro-​3-​ethoxycarbonylbenzot​hiophene; 2-​Amino-​4,​5,​6,​7-​tetrahydrobenzo[b]​thiophene-​3-​carboxylic acid ethyl ester; 2-​Amino-​4,​5,​6,​7-​tetrahydrobenzothiop​hene-​3-​carboxylic acid ethyl ester; Ethyl 2-​amino-​4,​5,​6,​7-​tetrahydro-​1-​benzothiophene-​3-​carboxylate; Ethyl 2-​amino-​4,​5,​6,​7-​tetrahydrobenzo[b]​thiophene-​3-​carboxylate; Ethyl 2-​amino-​4,​5,​6,​7-​tetrahydrobenzothiop​hene-​3-​carboxylate; NSC 99005 
        Deleted CAS Registry Numbers: 159852-​75-​2
 
Chemical Formula: C11H15NO2S
Exact Mass: 225.08
Molecular Weight: 225.31
m/z: 225.08 (100.0%), 226.09 (12.1%), 227.08 (4.6%), 227.09 (1.2%), 226.08 (1.2%)
Elemental Analysis: C, 58.64; H, 6.71; N, 6.22; O, 14.20; S, 14.23
 
InChI: InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKey: CDYVTVLXEWMCHU-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(SC2=C1CCCC2)N
 
Thermal Properties Value Condition Note
Melting Point 121 °C Solv: ethanol (64-17-5) (17)CAS
Melting Point 119-121 °C Solv: ethanol (64-17-5) (18)CAS
Melting Point 118-119 °C Solv: ethanol (64-17-5) (13)CAS
Melting Point 118 °C Solv: ethanol (64-17-5) (8)CAS
Melting Point 118 °C Solv: ethanol (64-17-5) (19)CAS

Specification

98%
References
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