Allyl thiocyanate
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Allyl thiocyanate
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CAS No:
764-49-8
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Formula:
C4H5NS
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Chemical Name:
Allyl thiocyanate
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Synonyms:
Thiocyanic acid,2-propen-1-yl ester;Thiocyanic acid,allyl ester;Thiocyanic acid,2-propenyl ester;Propene,3-thiocyanato-;3-Thiocyanatopropene;Allyl thiocyanate;1-Thiocyano-2-propene
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CAS No:
Characteristics
49.1
1.6
1.0560
161 °C
5350 mg/L @ 25 °C (est)
Celiac-rat LDL0: 100 mg/kg
Flammable; burning produces toxic cyanide, nitrogen oxide and sulfur oxide fumes
Safety Information
Treasury is ventilated, low temperature and dry; stored separately from food materials
Computed Properties
Molecular Weight:99.16
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:99.01427034
Monoisotopic Mass:99.01427034
Topological Polar Surface Area:49.1
Heavy Atom Count:6
Complexity:78.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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