chempirical

4-Chloro-4'-nitrodiphenyl sulfide

C12H8ClNO2SCAS 21969-11-9265.71 g/mol

Open in Covalent MOL file
N+OO−SCl
Aryl halideNitroSulfide

Properties

Molecular formula
C12H8ClNO2S
Molar mass
265.71 g/mol
Exact mass
264.9964 Da
logP
4.40Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
21969-11-9
SMILES
C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)Cl
InChIKey
CPUBRDUBQIVBGM-UHFFFAOYSA-N
InChI
InChI=1S/C12H8ClNO2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H

Weigh it out

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Work with 4-Chloro-4'-nitrodiphenyl sulfide

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

4-Nitrochlorobenzene100-00-578 % similar p-Nitrophenyl sulfide1223-31-078 % similar 4-Nitrophenyl phenyl sulfide952-97-668 % similar 4-[(4-Nitrophenyl)thio]benzenamine101-59-764 % similar Bis(4-nitrophenyl) disulfide100-32-360 % similar 4-Chloro-4′-nitrobenzophenone7497-60-160 % similar 1,4-Dinitrobenzene100-25-456 % similar 3-Nitrochlorobenzene121-73-350 % similar

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

Same formula

1-[(4-Chlorophenyl)thio]-2-nitrobenzene6764-10-9

Elsewhere

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