Bis(3-nitrophenyl) disulfide

C₁₂H₈N₂O₄S₂CAS 537-91-7308.33 g/mol

Open in Covalent MOL file

Disulfide Nitro

Properties

Molecular formula: C₁₂H₈N₂O₄S₂
Molar mass: 308.33 g/mol
Exact mass: 307.9925 Da
Melting point: 84 °C
logP: 4.30Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Warning

H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

537-91-7

SMILES

O=[N+]([O-])c1cccc(SSc2cccc([N+](=O)[O-])c2)c1

InChIKey

ODOFDWDUSSFUMN-UHFFFAOYSA-N

InChI

InChI=1S/C12H8N2O4S2/c15-13(16)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(17)18/h1-8H

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Names and synonyms

14 names · show all

Disulfide, bis(3-nitrophenyl)
Disulfide, bis(m-nitrophenyl)
m,m′-Dinitrodiphenyl disulfide
Megasul
Nitrophenide
NP
Bis(m-nitrophenyl) disulfide
Hinagen
3,3′-Dinitrodiphenyl disulfide
NSC 677441
NSC 42172
NSC 655043
NSC 66160
1-Nitro-3-[(3-nitrophenyl)disulfanyl]benzene

Work with Bis(3-nitrophenyl) disulfide

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

1-(Methylthio)-3-nitrobenzene2524-76-771 % similar 1,3-Dinitrobenzene99-65-069 % similar Ethyl(3-nitrophenyl)sulfane34126-43-765 % similar 3-Nitrotoluene99-08-161 % similar 3-Nitrochlorobenzene121-73-358 % similar 1-Fluoro-3-nitrobenzene402-67-558 % similar 3-Nitrobiphenyl2113-58-856 % similar 3-Nitrophenol554-84-756 % similar

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

Same formula

Bis(4-nitrophenyl) disulfide100-32-3 Bis(2-nitrophenyl) disulfide1155-00-6 6,6'-Dithiodinicotinic acid15658-35-2

Elsewhere

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