Adamantyl isothiocyanate

CAS Registry Number®

4411-26-1

CAS Name

Adamantyl isothiocyanate

Molecular Formula

C11H15NS

Molecular Mass

193.31

Cite this Page

Adamantyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4411-26-1 (retrieved 2024-11-24) (CAS RN: 4411-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-169 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2

InChIKey

InChIKey=YPKFLUARLJRPQM-UHFFFAOYSA-N

SMILES

N(=C=S)C12CC3CC(C1)CC(C2)C3

Canonical SMILES

S=C=NC12CC3CC(CC(C3)C1)C2

Other Names for this Substance

  • Tricyclo[3.3.1.13,7]decane, 1-isothiocyanato-
  • Isothiocyanic acid, 1-adamantyl ester
  • 1-Isothiocyanatotricyclo[3.3.1.13,7]decane
  • 1-Adamantyl isothiocyanate
  • 1-Isothiocyanatoadamantane

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