2,5-Diamino-3,4-dicyanothiophene

C₆H₄N₄SCAS 17989-89-8164.19 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₆H₄N₄S
Molar mass: 164.19 g/mol
Exact mass: 164.0157 Da
logP: 0.66Crippen estimate
Polar surface area: 99.6 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 0

Identifiers

CAS number

17989-89-8

SMILES

C(#N)C1=C(SC(=C1C#N)N)N

InChIKey

TXCXJWUMYTXWMR-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N4S/c7-1-3-4(2-8)6(10)11-5(3)9/h9-10H2

Weigh it out

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

Names and synonyms

6 names

2,5-Diaminothiophene-3,4-dicarbonitrile
2,5-Diamino-3,4-thiophenedicarbonitrile
3,4-Thiophenedicarbonitrile, 2,5-diamino-
2,4-Dicyanothiophene
2,5-Diamino-thiophene-3,4-dicarbonitrile
3, 2,5-Diamino-

Work with 2,5-Diamino-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

2-Amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carbonitrile4651-91-652 % similar 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-648 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-945 % similar 2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-640 % similar 2-Aminothiophene-3-carbonitrile4651-82-539 % similar 2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-C]pyridine-3-carbonitrile26830-40-038 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-037 % similar Tetrafluoroterephthalonitrile1835-49-035 % similar

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

Elsewhere

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