3-Methylthiopropyl isothiocyanate

CAS Registry Number®

505-79-3

CAS Name

3-Methylthiopropyl isothiocyanate

Molecular Formula

C5H9NS2

Molecular Mass

147.26

Cite this Page

3-Methylthiopropyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=505-79-3 (retrieved 2024-11-22) (CAS RN: 505-79-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    116 °C @ Press: 9 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3

InChIKey

InChIKey=LDKSCZJUIURGMW-UHFFFAOYSA-N

SMILES

C(CN=C=S)CSC

Canonical SMILES

S=C=NCCCSC

Other Names for this Substance

  • Propane, 1-isothiocyanato-3-(methylthio)-
  • Isothiocyanic acid, 3-(methylthio)propyl ester
  • 1-Isothiocyanato-3-(methylthio)propane
  • 3-Methylthiopropyl isothiocyanate
  • Iberverin

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration