4-(4-Pyridinyl)-2(3H)-thiazolethione

C₈H₆N₂S₂CAS 77168-63-9194.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₂S₂
Molar mass: 194.27 g/mol
Exact mass: 193.9972 Da
logP: 2.49Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

77168-63-9

SMILES

Sc1nc(-c2ccncc2)cs1

InChIKey

LEQNUYXXLYRUNY-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2S2/c11-8-10-7(5-12-8)6-1-3-9-4-2-6/h1-5H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

2(3H)-Thiazolethione, 4-(4-pyridinyl)-
4-(Pyridin-4-yl)thiazole-2-thiol

Work with 4-(4-Pyridinyl)-2(3H)-thiazolethione

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-phenylthiazole2103-88-069 % similar 4-Methyl-2(3H)-thiazolethione4498-39-942 % similar 4,4'-Bipyridine553-26-438 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-737 % similar 2,4′-Bipyridine581-47-536 % similar 4-Phenylpyridine939-23-133 % similar 1,3,4-Thiadiazole-2-thiol18686-82-331 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook