5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol

C₇H₅N₃OSCAS 15264-63-8179.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅N₃OS
Molar mass: 179.20 g/mol
Exact mass: 179.0153 Da
logP: 1.79Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15264-63-8

SMILES

C1=CN=CC=C1C2=NNC(=S)O2

InChIKey

TXCXZVFDWQYTIC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)

Weigh it out

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

Work with 5-(4-Pyridyl)-1,3,4-oxadiazole-2-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-Amino-5-phenyl-1,3,4-oxadiazole1612-76-638 % similar 4,4′-Bipyridine553-26-437 % similar 1,4-Bis(pyrid-4-yl)benzene113682-56-736 % similar 4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)4329-78-634 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-933 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-133 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-832 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook