2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile

C₁₁H₈N₂SCAS 41381-89-9200.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂S
Molar mass: 200.26 g/mol
Exact mass: 200.0408 Da
logP: 2.88Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

41381-89-9

SMILES

C1=CC=C(C=C1)C2=CSC(=N2)CC#N

InChIKey

SOFCSIBVJROWGI-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h1-5,8H,6H2

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Names and synonyms

1 names

(4-Phenyl-1,3-thiazol-2-yl)acetonitrile

Work with 2-(4-Phenyl-1,3-thiazol-2-yl)acetonitrile

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-Mercapto-4-phenylthiazole2103-88-047 % similar 2-Benzothiazoleacetonitrile56278-50-344 % similar 4-Biphenylacetonitrile31603-77-743 % similar 2-Biphenylacetonitrile19853-10-241 % similar Benzyl cyanide140-29-439 % similar 2-Thiopheneacetonitrile20893-30-538 % similar 2,6-Diphenylpyridine3558-69-836 % similar o-Phenylenediacetonitrile613-23-036 % similar

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

Same formula

Ska-3140172-65-4

Elsewhere

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