2-Chlorothiazole-5-carbonitrile

C4HClN2SCAS 51640-36-9144.58 g/mol

Open in Covalent MOL file
SNClN
Aryl halideNitrile

Properties

Molecular formula
C4HClN2S
Molar mass
144.58 g/mol
Exact mass
143.9549 Da
logP
1.67Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
51640-36-9
SMILES
C1=C(SC(=N1)Cl)C#N
InChIKey
BAFLVXULMMAKMM-UHFFFAOYSA-N
InChI
InChI=1S/C4HClN2S/c5-4-7-2-3(1-6)8-4/h2H

Weigh it out

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

Work with 2-Chlorothiazole-5-carbonitrile

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-Aminothiazole-5-carbonitrile51640-52-953 % similar 2-Chloro-5-methylthiazole33342-65-343 % similar 5-Chloro-2-thiophenecarbonitrile50478-16-542 % similar 2-Chloro-5-chloromethylthiazole105827-91-641 % similar 2-Chloro-1,3-thiazole-5-carbaldehyde95453-58-039 % similar 5-Chloropyrimidine-2-carbonitrile38275-56-839 % similar 4,6-Dichloronicotinonitrile166526-03-037 % similar 3,5-Dichloro-2-cyanopyridine85331-33-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook