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1-Adamantyl isothiocyanate
Weight193.315 g/mol
FormulaC11H15NS
Hydrogen Acceptors2
Hydrogen Donors0
Aromatic Rings0
Rotatable Bonds1

1-Adamantyl isothiocyanate (4411-26-1)

4411-26-1  ·  1-isothiocyanatoadamantane

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Alternate Names

  • 4411-26-1
  • 1-isothiocyanatoadamantane
  • SMILES
    C1C2CC3CC1CC(C2)(C3)N=C=S
  • InChIKey
    YPKFLUARLJRPQM-UHFFFAOYSA-N

Estimated Properties

Boiling Point 267.63 C EPA T.E.S.T.
Boiling Point 269.85 C EPI Suite
Density 1.05 g/cm3 EPA T.E.S.T.
Flash Point 113.46 C EPA T.E.S.T.
Melting Point 64.48 C EPI Suite
Water Solubility 49.99 mg/L EPA T.E.S.T.
Water Solubility 5.7308 mg/L EPI Suite

External Links

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