chempirical

1,3-Thiazole-2-carbonitrile

C4H2N2SCAS 1452-16-0110.13 g/mol

Open in Covalent MOL file
SNN
Nitrile

Properties

Molecular formula
C4H2N2S
Molar mass
110.13 g/mol
Exact mass
109.9939 Da
logP
1.01Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1452-16-0
SMILES
C1=CSC(=N1)C#N
InChIKey
ZIRGWUZHKJDYKT-UHFFFAOYSA-N
InChI
InChI=1S/C4H2N2S/c5-3-4-6-1-2-7-4/h1-2H

Weigh it out

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

Names and synonyms

1 names
  • 2-Cyanothiazole

Work with 1,3-Thiazole-2-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

2,3-Dicyanopyrazine13481-25-940 % similar 2-Chlorothiazole3034-52-438 % similar 2-Methylthiazole3581-87-138 % similar 2-Pyrimidinecarbonitrile14080-23-037 % similar 2-Bromothiazole3034-53-537 % similar 2-Mercaptothiazole5685-05-237 % similar 2-Mercaptothiazole82358-09-637 % similar 2-Cyanopyridine100-70-934 % similar

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

Elsewhere

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