3,4-Dicyanothiophene,

C₆H₂N₂SCAS 18853-32-2134.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂N₂S
Molar mass: 134.16 g/mol
Exact mass: 133.9939 Da
logP: 1.49Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

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

18853-32-2

SMILES

C1=C(C(=CS1)C#N)C#N

InChIKey

JSLBLMYJYPZTEB-UHFFFAOYSA-N

InChI

InChI=1S/C6H2N2S/c7-1-5-3-9-4-6(5)2-8/h3-4H

Weigh it out

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

Names and synonyms

1 names

3,4-Dicyanothiophene

Work with 3,4-Dicyanothiophene,

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

1,2,4,5-Benzenetetracarbonitrile712-74-350 % similar Phthalonitrile91-15-647 % similar 3-Thiophenecarbonitrile1641-09-442 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-139 % similar 4,5-Dichlorophthalonitrile139152-08-239 % similar 2,3-Dicyanonaphthalene22856-30-039 % similar 2-Bromobenzonitrile2042-37-738 % similar 2-Aminothiophene-3-carbonitrile4651-82-537 % similar

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

Elsewhere

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