3-Methylbutyl isothiocyanate

CAS Registry Number®

628-03-5

CAS Name

3-Methylbutyl isothiocyanate

Molecular Formula

C6H11NS

Molecular Mass

129.22

Cite this Page

3-Methylbutyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=628-03-5 (retrieved 2024-11-22) (CAS RN: 628-03-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    79 °C @ Press: 12 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3

InChIKey

InChIKey=JATNWMBUDXLMEO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NCCC(C)C

Other Names for this Substance

  • Butane, 1-isothiocyanato-3-methyl-
  • Isothiocyanic acid, isopentyl ester
  • 1-Isothiocyanato-3-methylbutane
  • Isoamyl isothiocyanate
  • Isopentyl isothiocyanate

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