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2-(1,3-Benzothiazol-2-Yl)-3-Methylbutanenitrile
[CAS# 115616-07-4]

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Identification
Name 2-(1,3-Benzothiazol-2-Yl)-3-Methylbutanenitrile
Synonyms 2-(benzo[d]thiazol-2-yl)-3-methylbutanenitrile
Molecular Structure CAS#: 115616-07-4, 2-(1,3-Benzothiazol-2-Yl)-3-Methylbutanenitrile
Molecular Formula C12H12N2S
Molecular Weight 216.30
CAS Registry Number 115616-07-4
SMILES CC(C)C(C#N)c1nc2ccccc2s1
InChI 1S/C12H12N2S/c1-8(2)9(7-13)12-14-10-5-3-4-6-11(10)15-12/h3-6,8-9H,1-2H3
InChIKey MSRPGOMBYKHGMG-UHFFFAOYSA-N
Properties
Density 1.181g/cm3 (Cal.)
Boiling point 343.108°C at 760 mmHg (Cal.)
Flash point 161.307°C (Cal.)
Refractive index 1.615 (Cal.)
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