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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
20624-25-3
SMILES
CCN(CC)C([S-])=S.O.O.O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

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.

Sodium diethyldithiocarbamate148-18-5Anhydrous Zinc diethyldithiocarbamate14324-55-1Salt Silver diethyldithiocarbamate1470-61-7Salt Cadmium diethyldithiocarbamate14239-68-0Salt

Similar compounds

Sodium dibutyldithiocarbamate136-30-153 % similar Sodium dimethyldithiocarbamate128-04-145 % similar Zinc dibutyldithiocarbamate136-23-240 % similar Bis(dibutyldithiocarbamato)nickel13927-77-040 % similar (T-4)-Bis(N-ethyl-N-phenylcarbamodithioato-κS,κS′)zinc14634-93-638 % similar Diethylthiocarbamoyl chloride88-11-935 % similar Tetraethylthiuram disulfide97-77-835 % similar Zinc dibenzyldithiocarbamate14726-36-434 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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