Malachite green isothiocyanate

CAS Registry Number®

147492-82-8

CAS Name

Malachite green isothiocyanate

Molecular Formula

C24H24N3S.Cl

Cite this Page

Malachite green isothiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147492-82-8 (retrieved 2024-10-06) (CAS RN: 147492-82-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H24N3S.ClH/c1-26(2)22-13-7-19(8-14-22)24(18-5-11-21(12-6-18)25-17-28)20-9-15-23(16-10-20)27(3)4;/h5-16H,1-4H3;1H/q+1;/p-1

InChIKey

InChIKey=NMHKCKDPHMNGHC-UHFFFAOYSA-M

SMILES

C(C1=CC=C(N(C)C)C=C1)(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(N=C=S)C=C3.[Cl-]

Canonical SMILES

[Cl-].S=C=NC1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C

Other Names for this Substance

  • Methanaminium, N-[4-[[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)
  • Methanaminium, N-[4-[[4-(dimethylamino)phenyl](4-isothiocyanatophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride
  • Malachite green isothiocyanate

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