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2-Butenoyl Isothiocyanate
[CAS# 2253-93-2]

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Identification
Name 2-Butenoyl Isothiocyanate
Molecular Structure CAS#: 2253-93-2, 2-Butenoyl Isothiocyanate
Molecular Formula C5H5NOS
Molecular Weight 127.16
CAS Registry Number 2253-93-2
SMILES O=C(/N=C=S)C=CC
InChI 1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3
InChIKey GGYYXENTGJDZTN-UHFFFAOYSA-N
Properties
Density 1.038g/cm3 (Cal.)
Boiling point 177.965°C at 760 mmHg (Cal.)
Flash point 61.431°C (Cal.)
Refractive index 1.51 (Cal.)
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