Dithianon

C₁₄H₄N₂O₂S₂CAS 3347-22-6296.32 g/mol

Open in Covalent MOL file

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
Flash point: 300 °C
Water solubility: 140 µg/L (20 °C)
logP: 2.15Crippen estimate
Polar surface area: 81.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-021-00-0), via PubChem.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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 4-Oxo-4H-chromene-3-carbonitrile50743-17-439 % 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 Pyrene-4,5,9,10-tetrone14727-71-033 % similar 3-Cyano-4-methylcoumarin24526-69-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook