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CAS Number: 64951-09-3
benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid

Structure

benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid
Name: benzo[d]imidazo[2,1-b]thiazole-2-carboxylic acid
Synonyms:
General Information
Product Number: 64951093
CAS Registry Number: 64951-09-3
Name:
Imidazo[2,​1-​b]​benzothiazole-​2-​carboxylic acid
NSC 296238 
Deleted CAS Registry Numbers: 909910-​91-​4
 
Chemical Formula: C10H6N2O2S
Exact Mass: 218.01
Molecular Weight: 218.23
m/z: 218.01 (100.0%), 219.02 (11.0%), 220.01 (4.5%), 219.01 (1.5%), 220.02 (1.1%)
Elemental Analysis: C, 55.04; H, 2.77; N, 12.84; O, 14.66; S, 14.69
 
InChI: InChI=1S/C10H6N2O2S/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6/h1-5H,(H,13,14)
InChIKey: RPTIDKXUZBSTRL-UHFFFAOYSA-N
Canonical SMILES : C1=CC=C2C(=C1)N3C=C(N=C3S2)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 262-263 °C   (2)IC
Melting Point 254-255 °C Solv: ethanol (64-17-5); water (7732-18-5) (3)IC

Specification

98%

References
  1. (1) Herath, Ananda; Organic Letters 2010, V12(3), P412-415 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
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