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

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-

Reactions

2,5-DIAMINO-3,4-DICYANOTHIOPHENE (3,4-Thiophenedicarbonitrile, 2,5-diamino-)product

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-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-252 % similar 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-648 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-945 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile37578-06-642 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile42225-04-742 % similar 2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-640 % similar 2-Aminothiophene-3-carbonitrile4651-82-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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