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Basic Information
CAS No.: 128-04-1
Name: Sodium dimethyldithiocarbamate
Article Data: 17
Molecular Structure:
Molecular Structure of 128-04-1 (Sodium dimethyldithiocarbamate)
Formula: C3H7NNaS2
Molecular Weight: 179.24
Synonyms: (Dimethyldithiocarbamato)sodium;Dimethyldithiocarbamicacid sodium salt;N,N-Dimethyldithiocarbamic acid sodium salt;
EINECS: 204-876-7
Density: 1.17 g/cm3
Melting Point: 120-122 °C (dec.)(lit.)
Boiling Point: 129.4 °C at 760 mmHg
Flash Point: 32 °C
Solubility: 374g/L at 20℃
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36
Safety: 26-36
PSA: 60.63000
LogP: 1.03040
Synthetic route
75-15-0

carbon disulfide

506-59-2

N,N-dimethylammonium chloride

128-04-1

sodium dimethyldithiocarbamate

Conditions
ConditionsYield
With sodium hydroxide In methanol for 3h; Ambient temperature;100%
75-15-0

carbon disulfide

124-40-3

dimethyl amine

128-04-1

sodium dimethyldithiocarbamate

Conditions
ConditionsYield
With sodium hydroxide at 25℃; Temperature;99.85%
With sodium hydroxide In water at 20℃; for 1.5h; Cooling with ice-water bath;59%
With sodium hydroxide In methanol other reagent;
137-26-8

Thiram

128-04-1

sodium dimethyldithiocarbamate

Conditions
ConditionsYield
With sodium amalgam In tetrahydrofuran for 2h;
56-23-5

tetrachloromethane

127-19-5

N,N-dimethyl acetamide

CS2

CS2

128-04-1

sodium dimethyldithiocarbamate

Conditions
ConditionsYield
With water
56-23-5

tetrachloromethane

68-12-2, 33513-42-7

N,N-dimethyl-formamide

CS2

CS2

128-04-1

sodium dimethyldithiocarbamate

Conditions
ConditionsYield
With water
66310-10-9

N-benzyl-2,4,6-triphenylpyridinium tetrafluoroborate

128-04-1

sodium dimethyldithiocarbamate

7250-18-2

benzyl dimethyldithiocarbamate

Conditions
ConditionsYield
In ethanol for 1h; Heating;99%

butyl <2>betylate perchlorate

128-04-1

sodium dimethyldithiocarbamate

70031-50-4

S-butyl N,N-dimethyldithiocarbamate

Conditions
ConditionsYield
In water at 25℃; for 0.5h;99%

tris(isopropylthio)cyclopropenylium perchlorate

128-04-1

sodium dimethyldithiocarbamate

Dimethyl-(3,4,5-tris-isopropylsulfanyl-thiophen-2-yl)-amine

Conditions
ConditionsYield
In acetonitrile for 1h; Ambient temperature;99%
58529-40-1

1,2-dichloro-tetramethyl-distannane

128-04-1

sodium dimethyldithiocarbamate

(CH3)2Sn(SC(N(CH3)2)S)2Sn(CH3)2

Conditions
ConditionsYield
In water to stirred soln. of tin compd. in degassed H2O was slowly added soln. of Na- (or NH4-) Me2NCSS (50-100% excess); formed ppt. was filtered off, washed with water, then with a little MeOH and dried in vac. at room temp.; recrystn. from CHCl3; elem. anal.;99%
81097-48-5

N-tosyl-6-azabicyclo[3.1.0]hexane

128-04-1

sodium dimethyldithiocarbamate

C15H22N2O2S3

Conditions
ConditionsYield
In acetonitrile at 80℃; for 0.5h; stereoselective reaction;99%
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    Product Name: Sodium dimethyldithiocarbamate CAS: 128-04-1 MF: C3H6NNaS2 MW: 143.21 EINECS: 204-876-7 Mol File: 128-04-1.mol Sodium dimethyldithiocarbamate Structure Sodium dimethyldithiocarbamate Chemical Properties Melting point

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Consensus Reports

Sodium dimethyldithiocarbamate(128-04-1) is reported in EPA TSCA Inventory.

Specification

The IUPAC name of this chemical is Sodium N,N-dimethyldithiocarbamate. With the CAS registry number 128-04-1 and EINECS registry number 204-876-7, it is also named as Dimethyldithiocarbamicacid sodium salt. In addition, the molecular formula is C3H7NNaS2 and the molecular weight is 144.21. It is a kind of clear yellow solution and belongs to the classes of Pharmaceutical Intermediates; Aliphatics; Classes of Metal Compounds; Na (Sodium) Compounds (excluding simple sodium salts); Typical Metal Compounds. What's more, it can be used as intermediates in organic synthesis, accelerant of rubber, antiseptic and corrosion inhibitor.

Physical properties about this chemical are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.06; (4)ACD/LogD (pH 7.4): -2.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 74.13 Å2; (12)Flash Point: 32 °C; (13)Enthalpy of Vaporization: 36.7 kJ/mol; (14)Boiling Point: 129.4 °C at 760 mmHg; (15)Vapour Pressure: 10.2 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[S-]C(=S)N(C)C
(2)InChI: InChI=1/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1
(3)InChIKey: VMSRVIHUFHQIAL-REWHXWOFAU

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 573mg/kg (573mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1419, 1974.
mouse LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Farmakologiya i Toksikologiya Vol. 28, Pg. 230, 1965.
rabbit LD50 oral 300mg/kg (300mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 34, 2000.
rat LD skin > 5gm/kg (5000mg/kg)   Toksikologicheskii Vestnik. Vol. (3), Pg. 34, 2000.
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmazie. Vol. 27, Pg. 139, 1972.
rat LD50 oral 1gm/kg (1000mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1029, 1966.