O,O-Dipyridin-2-yl carbonothioate

C₁₁H₈N₂O₂SCAS 96989-50-3232.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈N₂O₂S
Molar mass: 232.26 g/mol
Exact mass: 232.0306 Da
logP: 2.22Crippen estimate
Polar surface area: 44.2 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

96989-50-3

SMILES

C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2

InChIKey

IKYOVSVBLHGFMA-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H

Weigh it out

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Names and synonyms

1 names

Di-2-pyridyl thionocarbonate

Work with O,O-Dipyridin-2-yl carbonothioate

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

Carbonic acid di-2-pyridyl ester1659-31-059 % similar 2-Methoxypyridine1628-89-348 % similar 2-Ethoxypyridine14529-53-444 % similar 2-Butoxypyridine27361-16-639 % similar 2,2'-Bipyridine366-18-737 % similar 2-Pyridylthiourea14294-11-236 % similar 2-Pyridyl ketone19437-26-434 % similar 2,2′-Pyridil492-73-934 % similar

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

Same formula

1,1'-Thiocarbonyldi-2(1H)-pyridone102368-13-8

Elsewhere

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