chempirical

4-(4-Nitrophenyl)-1,2,3-thiadiazole

C8H5N3O2SCAS 82894-98-2207.21 g/mol

Open in Covalent MOL file
SNNN+OO−
Nitro

Properties

Molecular formula
C8H5N3O2S
Molar mass
207.21 g/mol
Exact mass
207.0102 Da
logP
2.11Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82894-98-2
SMILES
C1=CC(=CC=C1C2=CSN=N2)[N+](=O)[O-]
InChIKey
VLRKUBATYOJPSP-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O2S/c12-11(13)7-3-1-6(2-4-7)8-5-14-10-9-8/h1-5H

Weigh it out

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Work with 4-(4-Nitrophenyl)-1,2,3-thiadiazole

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

4,4'-Dinitro-1,1'-biphenyl1528-74-155 % similar 2-(4-Nitrophenyl)pyridine4282-47-751 % similar 1,4-Dinitrobenzene100-25-450 % similar 5-(4-Nitro-phenyl)-2H-tetrazole16687-60-850 % similar 2-(Chloromethyl)-4-(4-nitrophenyl)thiazole89250-26-050 % similar 4-Nitro-1,1′-biphenyl92-93-349 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-946 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-746 % similar

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

Elsewhere

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