Hexyl isothiocyanate

CAS Registry Number®

4404-45-9

CAS Name

Hexyl isothiocyanate

Molecular Formula

C7H13NS

Molecular Mass

143.25

Cite this Page

Hexyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4404-45-9 (retrieved 2024-11-25) (CAS RN: 4404-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210 °C

  • Melting Point (1)

    83 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

InChIKey

InChIKey=WXYAXKKXIGHXDS-UHFFFAOYSA-N

SMILES

C(CCCC)CN=C=S

Canonical SMILES

S=C=NCCCCCC

Other Names for this Substance

  • Hexane, 1-isothiocyanato-
  • Isothiocyanic acid, hexyl ester
  • 1-Isothiocyanatohexane
  • Hexyl isothiocyanate
  • n-Hexyl isothiocyanate

View All

Deleted or Replaced CAS Registry Numbers

1071559-86-8

CAS INSIGHTSTM
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