5-Chloro-2-thiophenecarbonitrile

C₅H₂ClNSCAS 50478-16-5143.59 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂ClNS
Molar mass: 143.59 g/mol
Exact mass: 142.9596 Da
logP: 2.27Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H318 Causes serious eye damage100% of notifiers
H330 Fatal if inhaled100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

50478-16-5

SMILES

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

InChIKey

MZALEEOEVCTDJA-UHFFFAOYSA-N

InChI

InChI=1S/C5H2ClNS/c6-5-2-1-4(3-7)8-5/h1-2H

Weigh it out

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

Work with 5-Chloro-2-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

2,5-Dichlorothiophene173777-89-450 % similar 5-Bromothiophene-2-carbonitrile2160-62-550 % similar 2,5-Dichlorothiophene3172-52-950 % similar 5-Formylthiophene-2-carbonitrile21512-16-345 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 2-Chlorothiazole-5-carbonitrile51640-36-942 % similar 5-Nitrothiophene-2-carbonitrile16689-02-441 % similar 5-Acetylthiophene-2-carbonitrile88653-55-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-3-thiophenecarbo...1108712-56-6

Elsewhere

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