Sodium diethyldithiocarbamate trihydrate

HCID 517546

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 20624-25-3
Standard SMILES: CCN(CC)C(=S)[S-].O.O.O.[Na+]
InChIKey: WWGXHTXOZKVJDN-UHFFFAOYSA-M
Molecular formula: C5H16NNaO3S2
Average molar mass: 225.3 g/mol
Monoisotopic mass: 225.04692965

Names & identifiers

Preferred name: Sodium diethyldithiocarbamate trihydrate
IUPAC: sodium;N,N-diethylcarbamodithioate;trihydrate

Names & synonyms

20624-25-3Sodium diethyldithiocarbamate trihydrateDitiocarb sodium trihydrateDithiocarb trihydrateDTXSID3021275Sodium N,N-diethyldithiocarbamate trihydrateCarbamodithioic acid, N,N-diethyl-, sodium salt, hydrate (1:1:3)Carbamodithioic acid, diethyl-, sodium salt, trihydrateUNII-04574EXF2C04574EXF2CDTXCID601275DITIOCARB SODIUM TRIHYDRATE [MI]

Show more names

RefChem:183864Carbamic acid, diethyldithio, sodium salt, trihydrate677-810-1Sodium diethylcarbamodithioate trihydrateDiethyldithiocarbamic acid sodium salt trihydrateCarbamic acid, diethyldithio-, sodium salt, trihydratesodium;N,N-diethylcarbamodithioate;trihydrateMFCD00150617

Database identifiers

CAS: 20624-25-3
PubChem CID: 517546
DTXSID: DTXSID3021275
ChEMBL: CHEMBL3185333
UNII: 04574EXF2C
EC Number: 677-810-1

Properties

Computed structural propertiesFilling in

Topological polar surface area: 39.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 83

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Chelating Agents

Density1.1 @ 20°C

Physical DescriptionSolid; [Merck Index] Hygroscopic solid; [Sigma-Aldrich MSDS]

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (84.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 139 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.