4-Methyl-5-(pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol

C₈H₈N₄SCAS 3652-32-2192.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₄S
Molar mass: 192.24 g/mol
Exact mass: 192.0470 Da
Melting point: 287 °C
logP: 1.17Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

3652-32-2

SMILES

Cn1c(S)nnc1-c1ccncc1

InChIKey

ACDUEIIMRXEFHO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N4S/c1-12-7(10-11-8(12)13)6-2-4-9-5-3-6/h2-5H,1H3,(H,11,13)

Weigh it out

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

Names and synonyms

4 names

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-(4-pyridinyl)-
4H-1,2,4-Triazole-3-thiol, 4-methyl-5-(4-pyridyl)-
2,4-Dihydro-4-methyl-5-(4-pyridinyl)-3H-1,2,4-triazole-3-thione
4-Methyl-3-γ-pyridyl-1,2,4-triazoline-5-thione

Work with 4-Methyl-5-(pyridin-4-yl)-4H-[1,2,4]triazole-3-thiol

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

2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione30682-81-638 % similar 4,4'-Bipyridine553-26-436 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-734 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-633 % similar 4-Phenylpyridine939-23-131 % similar 4-Methyl-4H-1,2,4-triazole-3-thiol24854-43-131 % similar Methimazole60-56-031 % similar 4-(4-Pyridinyl)-2(3H)-thiazolethione77168-63-930 % similar

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

Same formula

5-Benzylthio-1H-tetrazole21871-47-6

Elsewhere

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