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1-Isothiocyanatoacetone
[CAS# 89914-76-1]

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CAS#: 89914-76-1
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Identification
Name 1-Isothiocyanatoacetone
Synonyms 2-Propanone, 1-isothiocyanato-
Molecular Structure CAS#: 89914-76-1, 1-Isothiocyanatoacetone
Molecular Formula C4H5NOS
Molecular Weight 115.15
CAS Registry Number 89914-76-1
SMILES CC(=O)C\N=C=S
InChI 1S/C4H5NOS/c1-4(6)2-5-3-7/h2H2,1H3
InChIKey SFVRCVSRBCMBGV-UHFFFAOYSA-N
Properties
Density 1.084g/cm3 (Cal.)
Boiling point 193.472°C at 760 mmHg (Cal.)
Flash point 70.81°C (Cal.)
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