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CAS Number: 64951-05-9
ethyl benzo[d]imidazo[2,1-b]thiazole-2-carboxylate

Structure

ethyl benzo[d]imidazo[2,1-b]thiazole-2-carboxylate
Name: ethyl benzo[d]imidazo[2,1-b]thiazole-2-carboxylate
Synonyms:
General Information
Product Number: 64951059
CAS Registry Number: 64951-05-9
Name:
Imidazo[2,​1-​b]​benzothiazole-​2-​carboxylic acid, ethyl ester
Ethyl imidazo[2,​1-​b]​benzothiazole-​2-​carboxylate 
 
Chemical Formula: C12H10N2O2S
Exact Mass: 246.05
Molecular Weight: 246.28
m/z: 246.05 (100.0%), 247.05 (14.0%), 248.04 (4.5%), 248.05 (1.4%)
Elemental Analysis: C, 58.52; H, 4.09; N, 11.37; O, 12.99; S, 13.02
 
InChI: InChI=1S/C12H10N2O2S/c1-2-16-11(15)8-7-14-9-5-3-4-6-10(9)17-12(14)13-8/h3-7H,2H2,1H3
InChIKey: REOXQBVMMDCPSB-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN2C3=CC=CC=C3SC2=N1
 
Thermal Properties Value Condition Note
Melting Point 147-148 °C   (2)IC
Melting Point 142-143 °C   (3)IC
Melting Point 97 °C   (4)CAS
Melting Point 97 °C   (1)CAS

Specification

98%

References
  1. (1) Venkatesan, Aranapakam M.; Journal of Medicinal Chemistry 2004, V47(26), P6556-6568 CAPLUS
  2. (2) Clements-Jewery, Stephen; Journal of Medicinal Chemistry 1988, V31(6), P1220-6 CAPLUS
  3. (3) Ager, Ian R.; Journal of Medicinal Chemistry 1988, V31(6), P1098-115 CAPLUS
  4. (4) Abe, Takao; WO 2003093277 A1 2003 CAPLUS
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