tert-Butyl isothiocyanate

CAS Registry Number®

590-42-1

CAS Name

tert-Butyl isothiocyanate

Molecular Formula

C5H9NS

Molecular Mass

115.20

Cite this Page

tert-Butyl isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=590-42-1 (retrieved 2024-11-21) (CAS RN: 590-42-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    140 °C

  • Melting Point (1)

    10.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3

InChIKey

InChIKey=ZFWFRTVIIMTOLY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

S=C=NC(C)(C)C

Other Names for this Substance

  • Propane, 2-isothiocyanato-2-methyl-
  • Isothiocyanic acid, tert-butyl ester
  • 2-Isothiocyanato-2-methylpropane
  • tert-Butyl isothiocyanate
  • 1,1-Dimethylethyl isothiocyanate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration