(4-Nitrophenyl)methyl thiocyanate

CAS Registry Number®

13287-49-5

CAS Name

(4-Nitrophenyl)methyl thiocyanate

Molecular Formula

C8H6N2O2S

Molecular Mass

194.21

Cite this Page

(4-Nitrophenyl)methyl thiocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13287-49-5 (retrieved 2024-11-22) (CAS RN: 13287-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-86 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2

InChIKey

InChIKey=NUMYTLIHYKESKM-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC=C(CSC#N)C=C1

Canonical SMILES

N#CSCC1=CC=C(C=C1)N(=O)=O

Other Names for this Substance

  • Thiocyanic acid, (4-nitrophenyl)methyl ester
  • Thiocyanic acid, p-nitrobenzyl ester
  • Toluene, p-nitro-α-thiocyanato-
  • (4-Nitrophenyl)methyl thiocyanate
  • 4-Nitrobenzyl thiocyanate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration