chempirical

5-Nitrothiophene-2-carbonitrile

C5H2N2O2SCAS 16689-02-4154.14 g/mol

Open in Covalent MOL file
SN+OO−N
NitrileNitro

Properties

Molecular formula
C5H2N2O2S
Molar mass
154.14 g/mol
Exact mass
153.9837 Da
logP
1.53Crippen estimate
Polar surface area
66.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
16689-02-4
SMILES
C1=C(SC(=C1)[N+](=O)[O-])C#N
InChIKey
FLYONFCGDKAMIH-UHFFFAOYSA-N
InChI
InChI=1S/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H

Weigh it out

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

Work with 5-Nitrothiophene-2-carbonitrile

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

5-Nitro-2-thiophenecarboxaldehyde4521-33-951 % similar 2-Bromo-5-nitrothiophene13195-50-150 % similar 2-Nitrobenzonitrile612-24-844 % similar 5-Nitro-2-thiophenecarboxylic acid6317-37-944 % similar 4-Nitrophthalonitrile31643-49-942 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-142 % similar 3,5-Dinitrobenzonitrile4110-35-442 % similar 4-Methyl-3-nitrobenzonitrile939-79-741 % similar

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

Elsewhere

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