2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

C₆H₃ClN₂OSCAS 104366-23-6186.61 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitrile Primary amine

Properties

Molecular formula: C₆H₃ClN₂OS
Molar mass: 186.61 g/mol
Exact mass: 185.9655 Da
Melting point: 270 °C
logP: 1.67Crippen estimate
Polar surface area: 66.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

104366-23-6

SMILES

N#Cc1c(N)sc(C=O)c1Cl

InChIKey

XIZSUYSWKGAOCN-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2OS/c7-5-3(1-8)6(9)11-4(5)2-10/h2H,9H2

Weigh it out

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

Names and synonyms

4 names

3-Thiophenecarbonitrile, 2-amino-4-chloro-5-formyl-
2-Amino-4-chloro-3-cyano-5-formylthiophene
2-Amino-3-cyano-4-chloro-5-formylthiophene
2-Amino-4-chloro-5-formyl-3-cyanothiophene

Work with 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile

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

Tetrachloroterephthalonitrile1897-41-239 % similar Tetrachlorophthalonitrile1953-99-738 % similar 2-Amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carbonitrile4651-91-637 % similar Chlorothalonil1897-45-636 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-332 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-932 % similar

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

Same formula

6-Chloroimidazo[2,1-B]thiazole-5-carboxaldehyde23576-84-3

Elsewhere

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