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128-04-1

Basic Information
CAS No.: 128-04-1
Name: Carbamodithioic acid,N,N-dimethyl-,sodium salt (1:1)
Molecular Structure:
Molecular Structure of 128-04-1 (Carbamodithioic acid,N,N-dimethyl-,sodium salt (1:1))
Formula: C3H7NNaS2
Molecular Weight: 144.21
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:
Appearance: clear yellow liquid
Hazard Symbols: HarmfulXn
Risk Codes: 22-36
Safety: 26-36
Transport Information:
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%

hexadecyl <2>betylate fluorosulfate

128-04-1

sodium dimethyldithiocarbamate

5424-93-1

dimethyl-dithiocarbamic acid hexadecyl ester

Conditions
ConditionsYield
In dichloromethane; water at 25℃; for 1.5h;98%
3741-32-0

2-chloro-[1,3,2]dithiarsolane

128-04-1

sodium dimethyldithiocarbamate

17886-21-4

2-Dimethyldithiocarbamato-1,3,2-dithioarsolan

Conditions
ConditionsYield
In benzene for 5h; Substitution; Heating;98%
In ethanol for 5h;60%

bis(cyclopentadienyl)dibromozirconium

128-04-1

sodium dimethyldithiocarbamate

A

bis(η5-cyclopentadienyl)bromo(N,N-dimethyldithiocarbamato)zirconium(IV)

B

7647-15-6

sodium bromide

Conditions
ConditionsYield
In dichloromethane Kinetics; Stirring of mixt. of starting complexes in CH2Cl2 at reflux under anhydrous conditions in a dry Ar atmosphere (24 h).; Filtn. of react. mixt., removal of solvent by trap-to-trap distn., crystn. of crude resulting material from CH2Cl2 under hexane, elem. anal., variable-temp. NMR spectroscopy.;A 98%
B n/a
39110-02-6

dibromophenylbismuthane

128-04-1

sodium dimethyldithiocarbamate

18509-16-5

Bis-(dimethyldithiocarbamato)-phenyl-bismut

Conditions
ConditionsYield
In chloroform98%
In chloroform molar ratio sodium dimethylditiocarbamate:thiophenol = 2:1, 1 h, 25°C; recrystd. from CH3CN;98%
In chloroform98%
96454-61-4

[((C6H5)2PCH2)2W(CCH2C6H5)(CO)2](1+)*BF4(1-)=((C6H5)2PCH2CH2P(C6H5)2)W(CCH2C6H5)(CO)2BF4

128-04-1

sodium dimethyldithiocarbamate

96454-68-1

((CH3)2NCS2)((C6H5)2PCH2CH2P(C6H5)2)W(OCCCH2C6H5)(CO)(1+)*BF4(1-)

Conditions
ConditionsYield
In dichloromethane 1 equiv of Na salt adding to a soln. of the complex precooled to -23°C under N2, stirring for 0.5 h at -23°C, then 1.5 h at 0°C and 2 h at room temp., filtering, EtOH adding; purified by recrystallization from CH2Cl2-Et2O; identified by IR and NMR spectra;98%
74666-77-6

W(O)(CHC(CH3)3)Cl2(P(C2H5)3)2

128-04-1

sodium dimethyldithiocarbamate

79329-34-3

W(O)(CHC(CH3)3)bis(dithiocarbamate)

Conditions
ConditionsYield
In tetrahydrofuran byproducts: NaCl; molar ratio W:Na=1:2, stirred for 2 d; filtered, solvent removed in vac., recrystd. from toluene/pentane, elem. anal.;98%
68820-12-2

cyclohexyl-N-tosyl aziridine

128-04-1

sodium dimethyldithiocarbamate

C16H24N2O2S3

Conditions
ConditionsYield
In acetonitrile at 80℃; for 0.166667h; stereoselective reaction;98%
694-28-0

2-chlorocyclopentanone

128-04-1

sodium dimethyldithiocarbamate

23839-30-7

2-(Dimethylamino-thiocarbonylthio)cyclopentanon

Conditions
ConditionsYield
In diethyl ether; acetone97%
100188-48-5

3-(trimethylsilyl)-2-oxoazetidin-4-yl acetate

128-04-1

sodium dimethyldithiocarbamate

100188-54-3

(3S,4R)-3-(trimethylsilyl)-2-oxoazetidin-4-yl N,N-dimethyldithiocarbamate

Conditions
ConditionsYield
In water; acetone at 25℃;97%

(±)-trans-N-tosyl-2-isopropyl-3-methylaziridine

128-04-1

sodium dimethyldithiocarbamate

C16H26N2O2S3

Conditions
ConditionsYield
In acetonitrile at 80℃; for 1h; stereoselective reaction;97%

{W(C(C6H5)CHCH(CH3))Br2(CO)2(NC5H4(CH3))}

128-04-1

sodium dimethyldithiocarbamate

157773-71-2, 157904-09-1

{W(S2CN(CH3)2)2(OCC(C6H5)CHCHCH3)(CO)}

Conditions
ConditionsYield
In tetrahydrofuran under N2: addn. of NaS2CN(CH3)2 in THF to a slurry of allylidene tungsten in THF with stirring at 0°C; heating to 45-50°C for 1.5 h;; recrystallization by slow cooling of a satd. CH2Cl2/hexane soln. from ambient temperature to -78°C; mixture of 2 isomers;;96.5%
65611-10-1

1,2-dichloro-1,2-dimethoxyethane

128-04-1

sodium dimethyldithiocarbamate

144900-25-4

Dimethyl-dithiocarbamic acid 2-dimethylthiocarbamoylsulfanyl-1,2-dimethoxy-ethyl ester

Conditions
ConditionsYield
In N,N-dimethyl-formamide Ambient temperature;96%
5035-52-9

dichlorophenylstibine

128-04-1

sodium dimethyldithiocarbamate

phenylantimony chloride dimethyldithiocarbamate

Conditions
ConditionsYield
In chloroform equimolar amts at 25°C;96%
128-04-1

sodium dimethyldithiocarbamate

137-26-8

Thiram

Conditions
ConditionsYield
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 0.333333h;95%
With hydrogenchloride; sodium nitrite In methanol; water at 0 - 5℃; for 0.333333h;56%
In water at 25℃; Electrolysis;42%
2355-56-8

1N-methyl-2,4,6-triphenylpyridinium tetrafluoroborate

128-04-1

sodium dimethyldithiocarbamate

3735-92-0

N,N,S-trimethyldithiocarbamate

Conditions
ConditionsYield
With 2,4,6-triphenylpyridine at 160℃; under 1 Torr; for 0.5h;95%
107292-94-4

5,5'-methylenebis(1-(2-bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione)

128-04-1

sodium dimethyldithiocarbamate

107292-98-8

5,5'-methylenebis(3,6-dimethyl-1-(N,N-dimethylaminothiocarbonylthioethyl)-2,4(1H,3H)-pyrimidinedione)

Conditions
ConditionsYield
In methanol; chloroform for 2h; Heating;95%
591-50-4

iodobenzene

128-04-1

sodium dimethyldithiocarbamate

16906-70-0

phenyl N,N-dimethyl dithiocarbamate

Conditions
ConditionsYield
With dimethylaminoacetic acid; copper(l) iodide In N,N-dimethyl-formamide at 110℃; for 22h; Ullmann-type coupling;95%
With copper diacetate; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 6h; Sealed tube;87%
5035-52-9

dichlorophenylstibine

128-04-1

sodium dimethyldithiocarbamate

18528-48-8

phenylantimony dimethyldithiocarbamate

Conditions
ConditionsYield
In chloroform at room temp.;95%
213681-01-7

[(μ-bis(diphenylphosphinomethyl)phenylphosphine)(AuCl)3 ]

128-04-1

sodium dimethyldithiocarbamate

289035-01-4

(Au3(μ-bis(diphenylphosphinomethyl)phenylphosphine)(μ-S2CNMe2)Cl2)

Conditions
ConditionsYield
In dichloromethane under Ar atm. to CH2Cl2 suspn. ((μ-dpmp)(AuCl)3) was added NaS2CNMe2(1:1), soln. was stirred for 2 h; soln. was filtered, conc., hexane was added, solid was washed with hexane; elem. anal.;95%
213681-01-7

[(μ-bis(diphenylphosphinomethyl)phenylphosphine)(AuCl)3 ]

128-04-1

sodium dimethyldithiocarbamate

(Au3(μ-bis(diphenylphosphinomethyl)phenylphosphine)(μ-S2CNMe2)2Cl)

Conditions
ConditionsYield
In dichloromethane under Ar atm. to CH2Cl2 suspn. ((μ-dpmp)(AuCl)3) was added NaS2CNMe2(1:2), soln. was stirred for 2 h; soln. was filtered, conc., hexane was added, solid was washed with hexane; elem. anal.;95%
213681-01-7

[(μ-bis(diphenylphosphinomethyl)phenylphosphine)(AuCl)3 ]

128-04-1

sodium dimethyldithiocarbamate

289035-10-5

(Au3(μ-bis(diphenylphosphinomethyl)phenylphosphine)(μ-S2CNMe2)3)

Conditions
ConditionsYield
In dichloromethane under Ar atm. to CH2Cl2 suspn. ((μ-dpmp)(AuCl)3) was added NaS2CNMe2(1:3), soln. was stirred for 2 h; soln. was filtered, conc., Et2O was added, solid was washed with Et2O; elem. anal.;95%

3-iodo-2-(2-iodoethyl)-4,5-diphenylfuran

128-04-1

sodium dimethyldithiocarbamate

2-(3-iodo-4,5-diphenylfuran-2-yl)ethyl dimethylcarbamodithioate

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 150℃; for 2h;95%
1004-00-8

4-chloro-2-aminobenzenethiol

128-04-1

sodium dimethyldithiocarbamate

5331-91-9

5-chloro-2-mercaptobenzothiazole

Conditions
ConditionsYield
With aluminum (III) chloride In water; N,N-dimethyl-formamide at 120℃;95%
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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.