chempirical

Dithianon

C14H4N2O2S2CAS 3347-22-6296.32 g/mol

Open in Covalent MOL file
NSOOSN
Nitrile

Properties

Molecular formula
C14H4N2O2S2
Molar mass
296.32 g/mol
Exact mass
295.9714 Da
Density
1.55 g/mL (at 18 °C)
Melting point
220 °C
logP
2.15Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
0

Identifiers

CAS number
3347-22-6
SMILES
N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N
InChIKey
PYZSVQVRHDXQSL-UHFFFAOYSA-N
InChI
InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

19 names · show all
  • Naphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
  • Naphtho[2,3-b]-p-dithiin-2,3-dicarbonitrile, 5,10-dihydro-5,10-dioxo-
  • 5,10-Dihydro-5,10-dioxonaphtho[2,3-b]-1,4-dithiin-2,3-dicarbonitrile
  • MV 119A
  • Stauffer MV 119A
  • Delan WP
  • Delan (fungicide)
  • 2,3-Dicyano-1,4-dithiaanthraquinone
  • 2,3-Dinitrilo-1,4-dithiaanthraquinone
  • Dithianone
  • Thynon
  • 1,4-Dithiaanthraquinone-2,3-dicarbonitrile
  • 2,3-Dinitrilo-1,4-dithia-9,10-anthraquinone
  • Delan
  • Delan-col
  • Delan 75SC
  • NSC 218452
  • Delan WG
  • Delan 700WG

Work with Dithianon

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thioxanthone492-22-842 % similar Solvent orange 6316294-75-038 % similar 9,10-Dicyanoanthracene1217-45-438 % similar Dibenzo[A,D]cyclohepten-5-one2222-33-535 % similar Dibenzothiophene132-65-034 % similar 9-Cyanoanthracene1210-12-432 % similar 2-Chlorothioxanthone86-39-532 % similar Phthalonitrile91-15-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook