3-Butenyl isothiocyanate

CAS Registry Number®

3386-97-8

CAS Name

3-Butenyl isothiocyanate

Molecular Formula

C5H7NS

Molecular Mass

113.18

Cite this Page

3-Butenyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3386-97-8 (retrieved 2024-11-21) (CAS RN: 3386-97-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    77.5 °C @ Press: 28 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2

InChIKey

InChIKey=SKIHGKNFJKJXPX-UHFFFAOYSA-N

SMILES

C(CC=C)N=C=S

Canonical SMILES

S=C=NCCC=C

Other Names for this Substance

  • 1-Butene, 4-isothiocyanato-
  • Isothiocyanic acid, 3-butenyl ester
  • 4-Isothiocyanato-1-butene
  • 3-Butenyl isothiocyanate
  • 3-Buten-1-yl Isothiocyanate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration