chempirical

1,1′-Thiobis[4-nitrobenzene]

C12H8N2O4SCAS 1223-31-0276.27 g/mol

Open in Covalent MOL file
ON+O−SN+OO−
NitroSulfide

Properties

Molecular formula
C12H8N2O4S
Molar mass
276.27 g/mol
Exact mass
276.0205 Da
Melting point
152–154 °C
logP
3.65Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
1223-31-0
SMILES
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
ZZTJMQPRKBNGNX-UHFFFAOYSA-N
InChI
InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1,1′-thiobis[4-nitro-
  • Sulfide, bis(p-nitrophenyl)
  • 4,4′-Dinitrodiphenyl sulfide
  • Bis(4-nitrophenyl) sulfide
  • Bis(p-nitrophenyl) sulfide
  • p,p′-Dinitrodiphenyl sulfide
  • 4-Nitrophenyl sulfide
  • 1,1′-Thiobis(4-nitrobenzene)
  • NSC 11350
  • NSC 629272
  • 1-Nitro-4-(4-nitrophenyl)sulfanylbenzene
  • 1-Nitro-4-[(4-nitrophenyl)sulfanyl]benzene

Work with 1,1′-Thiobis[4-nitrobenzene]

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

Elsewhere

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