1-Isothiocyanato-2-methyl-3-nitrobenzene

CAS Registry Number®

956576-79-7
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CAS Name

1-Isothiocyanato-2-methyl-3-nitrobenzene

Molecular Formula

C8H6N2O2S

Molecular Mass

194.21

Cite this Page

1-Isothiocyanato-2-methyl-3-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=956576-79-7 (retrieved 2024-09-02) (CAS RN: 956576-79-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2S/c1-6-7(9-5-13)3-2-4-8(6)10(11)12/h2-4H,1H3

InChIKey

InChIKey=LQXPQPDCGJQJGW-UHFFFAOYSA-N

SMILES

N(=C=S)C1=C(C)C(N(=O)=O)=CC=C1

Canonical SMILES

O=N(=O)C=1C=CC=C(N=C=S)C1C

Other Names for this Substance

  • Benzene, 1-isothiocyanato-2-methyl-3-nitro-
  • 1-Isothiocyanato-2-methyl-3-nitrobenzene
  • 2-Methyl-3-nitrophenylisothiocyanate