2-Isothiocyanato-4,6-dimethylpyrimidine

CAS Registry Number®

89937-95-1

CAS Name

2-Isothiocyanato-4,6-dimethylpyrimidine

Molecular Formula

C7H7N3S

Molecular Mass

165.22

Cite this Page

2-Isothiocyanato-4,6-dimethylpyrimidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89937-95-1 (retrieved 2025-08-04) (CAS RN: 89937-95-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    86-87 °C @ Press: 0.1 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7N3S/c1-5-3-6(2)10-7(9-5)8-4-11/h3H,1-2H3

InChIKey

InChIKey=CBIPFIQADDNQJH-UHFFFAOYSA-N

SMILES

N(=C=S)C=1N=C(C)C=C(C)N1

Canonical SMILES

S=C=NC=1N=C(C=C(N1)C)C

Other Names for this Substance

  • Pyrimidine, 2-isothiocyanato-4,6-dimethyl-
  • Isothiocyanic acid, 4,6-dimethyl-2-pyrimidinyl ester
  • 2-Isothiocyanato-4,6-dimethylpyrimidine
  • 4,6-Dimethyl-2-isothiocyanatopyrimidine
  • 4,6-Dimethylpyrimidin-2-yl isothiocyanate

CAS INSIGHTSTM
This is the vasculature of an actual heart (porcine heart, identical to human heart).