Lithium thiocyanate hydrate

CH₂LiNOSCAS 123333-85-783.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CH₂LiNOS
Molar mass: 83.03 g/mol
Exact mass: 83.0017 Da
logP: -3.81Crippen estimate
Polar surface area: 55.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

123333-85-7

SMILES

[Li+].C(#N)[S-].O

InChIKey

UNTVNJAFDYEXLD-UHFFFAOYSA-M

InChI

InChI=1S/CHNS.Li.H2O/c2-1-3;;/h3H;;1H2/q;+1;/p-1

Weigh it out

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

Work with Lithium thiocyanate hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Thiocyanic acid463-56-9Parent compound Sodium thiocyanate540-72-7Salt Ammonium thiocyanate1762-95-4Salt Copper(I) thiocyanate1111-67-7Salt Potassium thiocyanate333-20-0Salt Barium thiocyanate2092-17-3Salt Cobalt(II) thiocyanate3017-60-5Salt Mercury(II) thiocyanate592-85-8Salt Lead(II) thiocyanate592-87-0Salt Silver thiocyanate1701-93-5Salt Calcium thiocyanate2092-16-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt

Similar compounds

Lithium chloride monohydrate16712-20-235 % similar Lithium chloride hydrate85144-11-235 % similar Lithium hydroxide hydrate1310-66-333 % similar Lithium iodide (LiI), trihydrate7790-22-933 % similar Lithium bromide (LiBr), hydrate85017-82-933 % similar

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

Elsewhere

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