chempirical

Bis(2-nitrophenyl) disulfide

C12H8N2O4S2CAS 1155-00-6308.33 g/mol

Open in Covalent MOL file
ON+O−SSN+OO−
DisulfideNitro

Properties

Molecular formula
C12H8N2O4S2
Molar mass
308.33 g/mol
Exact mass
307.9925 Da
Melting point
196–197 °C
logP
4.30Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 38 ECHA notifiers. Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1155-00-6
SMILES
O=[N+]([O-])c1ccccc1SSc1ccccc1[N+](=O)[O-]
InChIKey
NXCKJENHTITELM-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H

Weigh it out

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

Names and synonyms

10 names
  • Disulfide, bis(2-nitrophenyl)
  • Disulfide, bis(o-nitrophenyl)
  • Bis(o-nitrophenyl) disulfide
  • 2,2′-Dinitrodiphenyl disulfide
  • o,o′-Dinitrodiphenyl disulfide
  • o-Nitrophenyl disulfide
  • NSC 203
  • NSC 646126
  • 1-Nitro-2-[(2-nitrophenyl)disulfanyl]benzene
  • 1,2-Bis(2-nitrophenyl)disulfane

Work with Bis(2-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

2-Nitrobenzenesulfenyl chloride7669-54-769 % similar 2-Nitrophenyl phenyl sulfide4171-83-967 % similar 1,2-Dinitrobenzene528-29-067 % similar 2-Amino-2'-nitro diphenyl sulfide19284-81-261 % similar 2,2′-Dinitrobiphenyl2436-96-659 % similar 1-(4-Chlorophenyl)sulfanyl-2-nitrobenzene6764-10-957 % similar 1-Bromo-2-nitrobenzene577-19-555 % similar 1,5-Dinitronaphthalene605-71-054 % similar

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

Same formula

Bis(4-nitrophenyl) disulfide100-32-3 6,6'-Dithiodinicotinic acid15658-35-2 Bis(3-nitrophenyl) disulfide537-91-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook