chempirical

Sodium diethyldithiocarbamate trihydrate

C5H16NNaO3S2CAS 20624-25-3225.30 g/mol

Open in Covalent MOL file
NS−SH2OH2OH2ONa+
Thiol

Properties

Molecular formula
C5H16NNaO3S2
Molar mass
225.30 g/mol
Exact mass
225.0469 Da
logP
-1.31Crippen estimate
Polar surface area
97.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
20624-25-3
SMILES
CCN(CC)C([S-])=S.O.O.O.[Na+]
InChIKey
WZQWQJSRRKGGHT-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NS2.Na.3H2O/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;3*1H2

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Names and synonyms

4 names
  • Carbamodithioic acid, N,N-diethyl-, sodium salt, hydrate (1:1:3)
  • Carbamic acid, diethyldithio-, sodium salt, trihydrate
  • Carbamodithioic acid, diethyl-, sodium salt, trihydrate
  • Sodium N,N-diethyldithiocarbamate trihydrate

Work with Sodium diethyldithiocarbamate trihydrate

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

Sodium diethyldithiocarbamate148-18-588 % similar Cadmium diethyldithiocarbamate14239-68-067 % similar Zinc diethyldithiocarbamate14324-55-167 % similar Silver diethyldithiocarbamate1470-61-767 % similar Sodium dibutyldithiocarbamate136-30-153 % similar Sodium dimethyldithiocarbamate128-04-145 % similar Zinc dibutyldithiocarbamate136-23-240 % similar Bis(dibutyldithiocarbamato)nickel13927-77-040 % similar

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

Elsewhere

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