chempirical

5-Formylthiophene-2-carbonitrile

C6H3NOSCAS 21512-16-3137.16 g/mol

Open in Covalent MOL file
SNO
AldehydeNitrile

Properties

Molecular formula
C6H3NOS
Molar mass
137.16 g/mol
Exact mass
136.9935 Da
logP
1.43Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
21512-16-3
SMILES
C1=C(SC(=C1)C#N)C=O
InChIKey
PZIFYWVUYHMYOA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H

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Names and synonyms

1 names
  • 5-Cyano-2-thiophene carbaldehyde

Work with 5-Formylthiophene-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

2,5-Thiophenedicarboxaldehyde932-95-656 % similar 5-Nitrothiophene-2-carbonitrile16689-02-446 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-445 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-445 % similar 5-Bromothiophene-2-carbonitrile2160-62-545 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-145 % similar 5-Chloro-2-thiophenecarbonitrile50478-16-545 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-745 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook