4-Methylpentyl isothiocyanate

CAS Registry Number®

17608-07-0

CAS Name

4-Methylpentyl isothiocyanate

Molecular Formula

C7H13NS

Molecular Mass

143.25

Cite this Page

4-Methylpentyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17608-07-0 (retrieved 2024-11-23) (CAS RN: 17608-07-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    208-209 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3

InChIKey

InChIKey=CZWUENKYXFGDIG-UHFFFAOYSA-N

SMILES

C(CC(C)C)CN=C=S

Canonical SMILES

S=C=NCCCC(C)C

Other Names for this Substance

  • Pentane, 1-isothiocyanato-4-methyl-
  • Isothiocyanic acid, isohexyl ester
  • 1-Isothiocyanato-4-methylpentane
  • Isohexyl isothiocyanate
  • 4-Methylpentyl isothiocyanate

CAS INSIGHTSTM
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