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20624-25-3

Basic Information
CAS No.: 20624-25-3
Name: Carbamodithioic acid,N,N-diethyl-, sodium salt, hydrate (1:1:3)
Molecular Structure:
Molecular Structure of 20624-25-3 (Carbamodithioic acid,N,N-diethyl-, sodium salt, hydrate (1:1:3))
Formula: C5H10NNaS2.3(H2O)
Molecular Weight: 225.309
Synonyms: Carbamicacid, diethyldithio-, sodium salt, trihydrate (8CI);Carbamodithioic acid,diethyl-, sodium salt, trihydrate (9CI);Sodium N,N-diethyldithiocarbamatetrihydrate;
EINECS: 205-710-6
Density: 1.086g/cm3
Melting Point: 95-98.5 °C(lit.)
Boiling Point: 176.4 °C at 760 mmHg
Flash Point: 60.5 °C
Solubility: freely soluble in water
Appearance: white to light yellow crystals
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-38-41-36/37/38
Safety: 26-39-37/39-36
Transport Information: N/A
PSA: 88.32000
LogP: 1.61770
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  • Sodium diethyldithiocarbamate trihydrate

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    Sodium diethyldithiocarbamate trihydrate

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  • Carbamodithioic acid,N,N-diethyl-, sodium salt, hydrate (1:1:3)

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    20624-25-3

    Carbamodithioic acid,N,N-diethyl-, sodium salt, hydrate (1:1:3)

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    20624-25-3

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Specification

The IUPAC name of this product is sodium N,N-diethylcarbamodithioate trihydrate. With the CAS registry number 20624-25-3, it is also named as Diethyldithiocarbamate sodium salt trihydrate. The classification code of Sodium diethyldithiocarbamate trihydrate is Drug / Therapeutic Agent and Mutation data. In addition, it is white to light yellow crystals which is freely soluble in water. And this chemical is stable, hygroscopic and incompatible with strong oxidizing agents. Furthermore, the transport information is non-hazardous for air, sea and road freight.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.86; (4)ACD/LogD (pH 7.4): -0.95; (5)ACD/BCF (pH 5.5): 1.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Enthalpy of Vaporization: 41.27 kJ/mol; (13)Vapour Pressure: 1.1 mmHg at 25°C; (14)Rotatable Bond Count: 2; (15)Exact Mass: 225.046929; (16)MonoIsotopic Mass: 225.046929; (17)Topological Polar Surface Area: 39.3; (18)Heavy Atom Count: 12.

Uses of Sodium diethyldithiocarbamate trihydrate: It is used as sensitive reagent for the determination of copper. And it is also used in the determination of zinc, cobalt, platinum and palladium. In addition, this chemical can used as rubber vulcanization accelerator.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].[S-]C(=S)N(CC)CC.O.O.O;
2. InChI: InChI=1/C5H11NS2.Na.3H2O/c1-3-6(4-2)5(7)8;;;;/h3-4H2,1-2H3,(H,7,8);;3*1H2/q;+1;;;/p-1.

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 952mg/kg (952mg/kg)   European Journal of Pharmacology. Vol. 9, Pg. 183, 1970.
 
mouse LD50 intravenous 1700mg/kg (1700mg/kg)   Cancer Research. Vol. 46, Pg. 2751, 1986.
 
mouse LD50 oral 1500mg/kg (1500mg/kg)   American Journal of the Medical Sciences. Vol. 235, Pg. 26, 1958.
rabbit LD50 subcutaneous 500mg/kg (500mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 329, 1952.
 
rat LD50 intraperitoneal 1500mg/kg (1500mg/kg)   American Journal of the Medical Sciences. Vol. 235, Pg. 26, 1958.
rat LD50 oral 1500mg/kg (1500mg/kg)   American Journal of the Medical Sciences. Vol. 235, Pg. 26, 1958.