4-(4-Pyridyl)-3H-thiazole-2-thione

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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction33.3% of notifiers
H413 May cause long lasting harmful effects to aquatic life33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

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

3 names

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

Work with 4-(4-Pyridyl)-3H-thiazole-2-thione

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-Pyridin-4-yl-thiazol-2-ylamine30235-28-056 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-843 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-143 % similar 4-Methyl-2(3H)-thiazolethione4498-39-942 % similar Stf-62247315702-99-940 % similar 4,4′-Bipyridine553-26-438 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-737 % similar

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

Elsewhere

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