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2-(1,3-Benzothiazol-2-Yl)-3-Oxopropanenitrile
[CAS# 327104-64-3]

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Identification
Name 2-(1,3-Benzothiazol-2-Yl)-3-Oxopropanenitrile
Synonyms 2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile; 2-(benzo[d]thiazol-2-yl)-3-oxopropanenitrile
Molecular Structure CAS#: 327104-64-3, 2-(1,3-Benzothiazol-2-Yl)-3-Oxopropanenitrile
Molecular Formula C10H6N2OS
Molecular Weight 202.23
CAS Registry Number 327104-64-3
SMILES N#CC(c1nc2ccccc2s1)C=O
InChI 1S/C10H6N2OS/c11-5-7(6-13)10-12-8-3-1-2-4-9(8)14-10/h1-4,6-7H
InChIKey OOUQWCSFFLPIRX-UHFFFAOYSA-N
Properties
Density 1.375g/cm3 (Cal.)
Boiling point 325.023°C at 760 mmHg (Cal.)
Flash point 150.369°C (Cal.)
Refractive index 1.669 (Cal.)
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