sec-Butyl isothiocyanate

CAS Registry Number®

4426-79-3

CAS Name

sec-Butyl isothiocyanate

Molecular Formula

C5H9NS

Molecular Mass

115.20

Cite this Page

sec-Butyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4426-79-3 (retrieved 2024-11-23) (CAS RN: 4426-79-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    62-63 °C @ Press: 21 Torr

  • Density (2)

    0.9322 g/cm³ @ Temp: 22 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

InChIKey

InChIKey=TUFJIDJGIQOYFY-UHFFFAOYSA-N

SMILES

C(N=C=S)(CC)C

Canonical SMILES

S=C=NC(C)CC

Other Names for this Substance

  • Butane, 2-isothiocyanato-
  • Isothiocyanic acid, sec-butyl ester
  • 2-Isothiocyanatobutane
  • sec-Butyl isothiocyanate
  • 2-Butyl isothiocyanate

View All

Deleted or Replaced CAS Registry Numbers

116724-11-9

CAS INSIGHTSTM
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