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CAS Number: 46193-76-4
ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate

Structure

ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Name: ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Synonyms:
General Information
Product Number: 46193764
CAS Registry Number: 46193-76-4
Name:
        4H-​Thieno[3,​2-​b]​pyrrole-​5-​carboxylic acid, ethyl ester
        Ethyl 4H-​thieno[3,​2-​b]​pyrrole-​5-​carboxylate; NSC 157804 
 
Chemical Formula: C9H9NO2S
Exact Mass: 195.04
Molecular Weight: 195.24
m/z: 195.04 (100.0%), 196.04 (9.9%), 197.03 (4.5%), 196.03 (1.2%)
Elemental Analysis: C, 55.37; H, 4.65; N, 7.17; O, 16.39; S, 16.42
 
InChI: InChI=1S/C9H9NO2S/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChIKey: BLUDZFMRKHHPGZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC2=C(N1)C=CS2
 
Thermal Properties Value Condition Note
Melting Point 131-132 °C Solv: dichloromethane (75-09-2) (3)IC
Melting Point 129-130 °C   (1)CAS

Specification

98%

References
  1. (1) Chantson, Janine T.; Acta Crystallographica, Section E: Structure Reports Online 2004, V60(12), Po2493-o2494 CAPLUS
  2. (2) Venable, Jennifer D.; Journal of Medicinal Chemistry 2005, V48(26), P8289-8298 CAPLUS
  3. (3) Eras, J.; Journal of Heterocyclic Chemistry 1984, V21(1), P215-17 CAPLUS
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