Disulfiram supplier | CasNO.97-77-8

Name
Disulfiram
EINECS 202-607-8
CAS No. 97-77-8
Article Data79
CAS DataBase
Density 1.205 g/cm³
Solubility 0.02 g/100 mL in water
Melting Point 69-71 °C(lit.)
Formula C₁₀H₂₀N₂S₄
Boiling Point 369.023 °C at 760 mmHg
Molecular Weight 296.546
Flash Point 176.979 °C
Transport Information UN 3077 9/PG 3
Appearance yellow-white crystals or grey powder
Safety 24-37-60-61
Risk Codes 22-43-48/22-50/53
Molecular Structure
Hazard Symbols Xn,N
Synonyms NCI-C02959;Antiaethan;155-01-1;Contralin;Bis(N,N-diethylthiocarbamoyl) disulfide;Aversan;Thiuram disulfide, tetraethyl-;Averzan;Tiuram;Antaetil;anti-Ethyl;Dupon 4472;Thiuram E;Ekagom DTET;Bis((diethylamino)thioxomethyl) disulfide;tetraethylthiuram disulphide;Anthethyl;tetraethylthioperoxydicarbonic diamide;Ethyldithiourame;Soxinol TET;Tetraetil;Refusal [Netherlands];Abstensil;Bis((diethylamino)thioxomethyl)disulphide;Ethyl thiurad;Antethyl;Tetraethylthiuram;N,N,N,N-Tetraethylthiuram disulphide;Tetraethylthiuran disulfide;Disulfiram [BAN:INN:JAN];Disulfiram (JP14/USP);Ethyl Thiudad;Exhorran;Antetan;N,N,N,N-tetraethylthiuram disulfide;
PSA 121.26000
LogP 3.62120

Synthetic route

: 147-84-2
Diethyldithiocarbamic acid

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With oxygen In ethanol at 20 - 30℃; under 3000.3 Torr; for 0.1h; Time; Flow reactor;	99.8%
With 3,6-di(2'-pyridyl)-1,2,4,5-tetrazine In ethanol; water at 40℃; for 0.5h; Temperature;	98%
With morpholine; iodine In tetrahydrofuran; benzene at 10 - 20℃; for 0.25h;	97%

: 109-89-7
diethylamine

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With triphenyl antimony oxide In acetonitrile for 24h; Ambient temperature;	99%

: 75-15-0
carbon disulfide

: 109-89-7
diethylamine

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With oxygen In isopropyl alcohol at 50℃; under 1275.13 Torr; for 1.5h; Autoclave;	98.5%
Stage #1: carbon disulfide; diethylamine With haematoxylin In ethanol at 20 - 30℃; for 0.1h; Stage #2: In ethanol for 0.0333333h; Temperature; Irradiation;	98.99%
With carbon tetrabromide In N,N-dimethyl-formamide at 20℃; for 1h; Cooling with ice;	96%

: 148-18-5
sodium N,N-diethyldithiocarbamate

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With 1,3,5-trichloro-2,4,6-triazine; dimethyl sulfoxide In dichloromethane at 20℃; for 2h;	96%
With iodine In methanol at 0℃;	95%
With oxygen; sodium hydroxide In water at 25℃; for 1.08333h; pH=10; Kinetics; pH-value; Reagent/catalyst;	94%

: 548761-51-9
N,N-diethyl-S-(α,α-dimethyl-α-acetic acid)dithiocarbamate

: 188526-94-5
N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)aminoxyl

A: 97-77-8
disulfiram

B: 654636-62-1
N-(2-methyl-2-propyl)-N-(1-diethylphosphono-2,2-dimethylpropyl)-O-(2-carboxyprop-2-yl)hydroxylamide

Conditions

Conditions	Yield
In ethanol at 20℃; for 4h; Product distribution / selectivity; Inert atmosphere; Photolysis;	A n/a B 90%

...Expand

: 112296-52-3
diethylammonium oxotrithiotungstate

A: W2O2(μ-S)2(S2CNEt2)2

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With carbon disulfide In N,N-dimethyl-formamide byproducts: H2S; refluxing (4 h); addn. of 2-propanol and ether, filtn., crystn. (room temp., overnight), washing (water, ethanol, ether), recrystn. (CH2Cl2/petroleum ether); elem. anal.;	A 38% B n/a

: diethylammonium tetrathiotungstate(VI)

A: W2OS(μ-S)2(S2CNEt2)2

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With carbon disulfide; air In N,N-dimethyl-formamide byproducts: H2S; refluxing (4 h) in presence of air; addn. of 2-propanol and ether, filtn., crystn. (room temp., overnight), washing (water, ethanol, ether), recrystn. (CH2Cl2/petroleum ether), chromy. (silica gel, Ch2Cl2/petroleum ether 75:25); elem. anal.;	A 30% B n/a

: diethylammonium tetrathiotungstate(VI)

A: W2S2(μ-S)2(S2CNEt2)2

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With carbon disulfide In N,N-dimethyl-formamide byproducts: H2S; N2 atmosphere, refluxing (absence of light, 4 h); addn. of 2-propanol and ether to the cold soln., filtn., crystn. (room temp., 24 h), washing (water, ethanol, ether), recrystn. (CH2Cl2/petroleum ether), chromy. (silica gel, CH2Cl2/petroleum ether 75:25); elem. anal.;	A 28% B n/a

: 75-15-0
carbon disulfide

: 3768-61-4
N,N,N',N'-tetraethylthioamine

: 97-77-8
disulfiram

: 3768-61-4
N,N,N',N'-tetraethylthioamine

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With carbon disulfide

: 20624-25-3
sodium diethyldithiocarbamate trihydrate

: 108-91-8
cyclohexylamine

A: 97-77-8
disulfiram

B: 52185-80-5
N,N-diethylthiocarbamoyl-N'-cyclohexylsulfenamide

Conditions

Conditions	Yield
at 30℃; anschliessend mit NaOCl bei pH 12-12.5;

...Expand

: 392-74-5
diethyldithiocarbamate

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With sodium nitrate; 3Na(1+)*C8N8W(3-) In water; acetone at 25℃; Equilibrium constant; Rate constant; Mechanism; ΔH(excit.), Σ(excit.), other dithiocarbamate anions, var. metal complexes and salts;

: 148-18-5
sodium N,N-diethyldithiocarbamate

: 327989-09-3
C8H15NOS4

A: 97-77-8
disulfiram

B: 140-90-9
sodium O-ethyl dithiocarbonate

Conditions

Conditions	Yield
With sodium nitrate; C8MoN8(3-)*3Na(1+) In water; acetone at 25℃; Equilibrium constant; μ 0.2 mol/l;

...Expand

: 148-18-5
sodium N,N-diethyldithiocarbamate

: C12H24N2S4

A: 97-77-8
disulfiram

B: 4092-82-4
sodium N,N'-diisopropyldithiocarbamate

Conditions

Conditions	Yield
With sodium nitrate; potassium hexacyanoferrate(III) In water; acetone at 25℃; Rate constant; Equilibrium constant; μ 0.2 mol/l;

...Expand

: 54451-16-0
diethyldithiocarbamate radical

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With sodium nitrate In water; acetone at 25℃; Equilibrium constant; var. metal complexes and salts;
In methanol at 21.85℃; Kinetics; Further Variations:; Solvents; Temperatures; Recombination;

: 88245-23-2
bis(chlorothiocarbonyl)disulfide

: 109-89-7
diethylamine

: 97-77-8
disulfiram

Conditions

Conditions	Yield
In tetrachloromethane at 5℃;

: 109-89-7
diethylamine

35S containing CS2: 35S containing CS2

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With potassium hydroxide bei folgendes Oxydation mit Na2S4O6; Darstellung von 35S-markiertem Tetraaethyl-thiuramdisulfid;

N.N-diethyl-dithiocarbamidacidic diethylamine: N.N-diethyl-dithiocarbamidacidic diethylamine

: 97-77-8
disulfiram

Conditions

Conditions	Yield
Electrolysis.an der Anode;

sodium diethyl dithiocarbamate: sodium diethyl dithiocarbamate

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With ammonium peroxydisulfate; water
With sodium nitrite
With water; chlorine at 5 - 8℃;
With sodium nitrite

: 136-92-5
bis(diethyldithiocarbamato)selenium

sodium diethyl dithiocarbamate: sodium diethyl dithiocarbamate

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With ethanol

: 109-89-7
diethylamine

CS2: CS2

A: 97-77-8
disulfiram

B: 136-92-5
bis(diethyldithiocarbamato)selenium

Conditions

Conditions	Yield
With selenium(IV) oxide; isopropyl alcohol

...Expand

N.N-diethyl-dithiocarbamidacidic diethylamine: N.N-diethyl-dithiocarbamidacidic diethylamine

A: 97-77-8
disulfiram

B: 19833-78-4
di-ethylamine hydroiodide

Conditions

Conditions	Yield
With ethanol; iodine

: 64-17-5
ethanol

: 67-66-3
chloroform

: 136-92-5
bis(diethyldithiocarbamato)selenium

: 140-89-6
potassium ethyl xanthogenate

A: 97-77-8
disulfiram

B selenium: selenium

...Expand

: 64-17-5
ethanol

: 67-66-3
chloroform

: 136-92-5
bis(diethyldithiocarbamato)selenium

sodium diethyl dithiocarbamate: sodium diethyl dithiocarbamate

A: 97-77-8
disulfiram

B selenium: selenium

...Expand

: 7553-56-2
iodine

: 1518-58-7
diethylammonium diethyldithiocarbamate

A: 97-77-8
disulfiram

B: 19833-78-4
di-ethylamine hydroiodide

...Expand

: 506-68-3
bromocyane

: 148-18-5
sodium N,N-diethyldithiocarbamate

: 97-77-8
disulfiram

Conditions

Conditions	Yield
With potassium iodide In water pH:6.2-6.7; in aqueous and non aqueous medium; titration method;

: octacyanomolybdate(V)

: 147-84-2
Diethyldithiocarbamic acid

A: octacyanomolybdate(IV) ion

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With sodium perchlorate In dimethyl sulfoxide Kinetics; Electrochem. Process; 25°C;
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 30% aq.acetone, 25°C, at different pH (9-12);

...Expand

: Fe(imid)(CN)5(2-)

: 147-84-2
Diethyldithiocarbamic acid

A: [Fe(CN)5(imidazole)](3-)

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 25°C, 30% aq.acetone, at different pH (9-12);

...Expand

: (pyrazine)pentcyanidoferrate(III)

: 147-84-2
Diethyldithiocarbamic acid

A: 40299-78-3
pentacyano(pyrazine)ferrate(II)(3-)

B: 97-77-8
disulfiram

Conditions

Conditions	Yield
With sodium nitrate In water; acetone Kinetics; Electrochem. Process; 25°C, 30% aq.acetone, at different pH (9-12);

...Expand

: 97-77-8
disulfiram

: 70298-89-4
4-(pivaloylamino)pyridine

: 129333-20-6
<4-<(2,2-dimethyl-1-oxopropyl)amino>-3-pyridinyl>diethylcarbamodithioate

Conditions

Conditions	Yield
Stage #1: 4-N-pivaloylaminopyridine With n-butyllithium In tetrahydrofuran; hexane at -10 - 1℃; for 2h; Stage #2: disulfiram In tetrahydrofuran; hexane at -10 - 20℃;	100%
Stage #1: 4-N-pivaloylaminopyridine With n-butyllithium Stage #2: disulfiram	98%
With n-butyllithium 1) THF, hexane, -10 to 0 deg C, 2) THF, 0 deg C to room temperature; Yield given. Multistep reaction;

: 56423-63-3
2-bromopyrazine

: 97-77-8
disulfiram

: pyrazin-2-yl diethylcarbamodithioate

Conditions

Conditions	Yield
With copper(I) oxide; caesium carbonate In dimethyl sulfoxide at 110℃; for 48h; Sealed tube;	96%

: 97-77-8
disulfiram

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 67272-98-4
2-chloro-5-nitro-N,N-diethylbenzamide

Conditions

Conditions	Yield
With di-tert-butyl peroxide; copper(I) bromide In ethyl acetate at 120℃;	95%

: 97-77-8
disulfiram

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 28371-57-5
(4-nitrophenyl)methyl diethyldithiocarbamate

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 0.5h; Sealed tube; Green chemistry;	94%

: 97-77-8
disulfiram

: 108-91-8
cyclohexylamine

A: 52185-80-5
N,N-diethylthiocarbamoyl-N'-cyclohexylsulfenamide

B: Diethyl-dithiocarbamic acid; compound with cyclohexylamine

Conditions

Conditions	Yield
at 20℃; for 3h;	A 93% B n/a

...Expand

: 97-77-8
disulfiram

: 21204-67-1
methyl (triphenylphosphoranylidene)acetate

: 110637-87-1
Diethylthiocarbamoylsulfanyl-(triphenyl-λ5-phosphanylidene)-acetic acid methyl ester

Conditions

Conditions	Yield
In benzene Heating;	93%

: 97-77-8
disulfiram

: 121-92-6
3-nitrobenzoic acid

: 2433-21-8
3-nitro-N,N-diethylbenzamide

Conditions

Conditions	Yield
With di-tert-butyl peroxide; copper(I) bromide In ethyl acetate at 120℃;	93%

: 97-77-8
disulfiram

: 1439-36-7
1-triphenylphosphoranylidene-2-propanone

: 110637-84-8
Diethyl-dithiocarbamic acid 2-oxo-1-(triphenyl-λ5-phosphanylidene)-propyl ester

Conditions

Conditions	Yield
In benzene Heating;	92%

: 97-77-8
disulfiram

: 3879-07-0
diethyl 2,2'-azobis(2-methylpropionate)

: 120924-70-1
S-(1-methyl-1-ethoxycarbonylethyl) N,N-diethyl-dithiocarbamate

Conditions

Conditions	Yield
In ethyl acetate for 18h; Heating;	92%

: 15696-40-9
dodecacarbonyl triosmium

: 97-77-8
disulfiram

: 110-54-3
hexane

: cis-Os(CO)2(S2CNEt2)2*0.25C6H14

Conditions

Conditions	Yield
In toluene under N2 atm. using Schlenk technique; soln. refluxed for 4 h; solvent removed under vac.; residue washed with hexanes;	92%

...Expand

: 97-77-8
disulfiram

: 589-15-1
1-bromomethyl-4-bromobenzene

: 28371-58-6
4-bromobenzyl diethylcarbamodithioate

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 0.5h; Sealed tube; Green chemistry;	92%

: 7440-69-9
bismuth

: 97-77-8
disulfiram

: 1000068-52-9, 20673-31-8
tris(N,N-diethyldithiocarbamato)bismuth(III)

Conditions

Conditions	Yield
In toluene metal and S-compd. were refluxed in 1:1.5 molar ratio in toluene for 3 h; soln. was filtered, concd. to 1/3 of its original vol., cooled to room temp., solid was filtered off, washed with petroleum ether (b.p. 60-80 °C), dried in vac., elem. anal.;	91%

: 97-77-8
disulfiram

: 88-10-8
N,N-diethylcarbamyl chloride

Conditions

Conditions	Yield
Stage #1: disulfiram With chlorine In dichloromethane at 24 - 26℃; for 7h; Cooling with ice; Stage #2: With water; sodium hydrogencarbonate In dichloromethane Cooling with ice;	90.3%

: 97-77-8
disulfiram

: 1481-55-6
N-ethyl-N-(trifluoromethyl)ethanamine

Conditions

Conditions	Yield
With silver fluoride In various solvent(s) at 20℃; for 3h;	90%
With dialkylaminosulfurtrifluoride In diethyl ether at 20℃; for 0.25h;

: 97-77-8
disulfiram

: 65595-22-4, 65585-33-3
Rh((C6H5)2PCSNC6H5)(P(C6H5)3)2

: Rh[(C6H5)2PCSNC6H5][(C2H5)2NCSS]2*0.3C7H8

Conditions

Conditions	Yield
In toluene Rh-complex and ligand were dissolved in toluene for 2 h, diluted with n-hexane at room temp.; elem. anal.;	90%

: 97-77-8
disulfiram

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 30742-31-5
2-bromobenzyl diethylcarbamodithioate

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 0.5h; Sealed tube; Green chemistry;	90%

: 97-77-8
disulfiram

: 2417-72-3
Methyl 4-(bromomethyl)benzoate

: methyl 4-{[(diethylcarbamothioyl)thio]methyl}benzoate

Conditions

Conditions	Yield
With potassium carbonate In water at 100℃; for 0.5h; Sealed tube; Green chemistry;	90%

: 7440-69-9
bismuth

: 97-77-8
disulfiram

: 7553-56-2
iodine

: 78403-74-4
(NN-diethyldithiocarbamato)di-iodo-bismuth(III)

Conditions

Conditions	Yield
In toluene metal, S-compd. and I2 were refluxed in 1:1:1 molar ratio in toluene for3.5 h; soln. was filtered in hot, solid was washed with petroleum ether (b.p. 60-80 °C), dried in vac., elem. anal.;	89%

...Expand

: 15168-81-7, 18498-01-6
dichloro(1,2-bis(diphenylphosphino)ethane)cobalt(II)

: 14239-68-0
cadmium(II) diethyldithiocarbamate

: 97-77-8
disulfiram

: di(N,N-diethyldithiocarbamato)[1,2-bis(diphenylphosphino)ethane]cobalte(III) tetrachlorocadmate

Conditions

Conditions	Yield
In dichloromethane stirred for 30 min at room temp.; filtered, concd. (vac.), added diethyl ether, ppt. filtered, washed (ethanol, diethyl ether), dried (vac.); elem. anal., NMR;	89%

...Expand

: 97-77-8
disulfiram

A: 88-10-8
N,N-diethylcarbamyl chloride

B: 88-11-9
N,N-diethylthiocarbamoyl chloride

Conditions

Conditions	Yield
With sulfuryl dichloride In benzene at 50℃; for 6h;	A 1.3% B 87%
With sulfuryl dichloride In benzene at 60℃; for 4h;	A 1.3% B 87%

: 7440-69-9
bismuth

: 97-77-8
disulfiram

: 7553-56-2
iodine

: 59196-65-5
bis(NN-diethyldithiocarbamato)-iodo-bismuth(III)

Conditions

Conditions	Yield
In toluene metal, S-compd. and I2 were refluxed in 1:1.5:0.5 molar ratio in toluenefor 3.5 h; soln. was filtered in hot, solid was washed with petroleum ether (b.p. 60-80 °C), dried in vac., elem. anal.;	87%

...Expand

: 7440-31-5
tin

: 97-77-8
disulfiram

: 33790-72-6, 12367-48-5, 442849-67-4, 34431-16-8
tetrakis(N,N-diethyldithiocarbamato)tin

Conditions

Conditions	Yield
In toluene metal and S-compd. were refluxed in 1:2 molar ratio in toluene for 5 h; mixt. was evapd. in vac., residue was triturated with n-pentane, solid was filtered off, dried in vac., elem. anal.;	87%

: bis(cyclopentadienylchromium tricarbonyl)

: 97-77-8
disulfiram

: 377078-60-9
(cyclopentadienyl)Cr(CO)2(η2-S(S)CN(C2H5)2)

Conditions

Conditions	Yield
In toluene stoich., at ambient temp., concd.; elem. anal.;	87%
In toluene N2 or Ar; stirring of Cr complex and ligand in toluene at ambient temp. for 1 h; filtering, concn. the filtrate, crystn. by addn. of hexane and overnightcooling at -29°C; elem. anal.;	86.7%

: 97-77-8
disulfiram

: 535-80-8
3-chlorobenzoate

: 15952-65-5
3-chloro-N,N-diethylbenzamide

Conditions

Conditions	Yield
With di-tert-butyl peroxide; copper(I) bromide In ethyl acetate at 120℃;	87%

: 97-77-8
disulfiram

: 624-31-7
4-tolyl iodide

: 109720-10-7
diethyl dithiocarbamic acid p-tolyl ester

Conditions

Conditions	Yield
With copper(I) oxide; caesium carbonate In dimethyl sulfoxide at 80℃; for 18h; Sealed tube;	87%
With potassium carbonate; copper dichloride; zinc In dimethyl sulfoxide at 110℃; for 18h; Sealed tube;	83%
With copper acetylacetonate; tetrabutylammomium bromide; sodium carbonate In water at 100℃; for 12h; Sealed tube;	80%

Disulfiram History

The researchers Erik Jacobsen, Jens Hald, and Keneth Ferguson from the Danish drug company Medicinalco discovered the drug's action in 1948 by accident . The substance was intended to provide a remedy for parasitic infestations; however, workers testing the substance on themselves reported severe symptoms after alcohol consumption.

Disulfiram Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 , 1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 12 , 1976,p. 85.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NCI Carcinogenesis Bioassay (feed); No Evidence: mouse, rat NCITR* National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-16 ,1979. . Reported in EPA TSCA Inventory.

Disulfiram Standards and Recommendations

OSHA PEL: TWA 2 mg/m³
ACGIH TLV: TWA 2 mg/m³; Not Classifiable as a Human Carcinogen
DFG MAK: 2 mg/m³

Disulfiram Specification

The Disulfiram , with cas registry number of 97-77-8, belongs to the classification codes of (1) Acaricide ; (2) Agricultural Chemical ; (3) Alcohol deterrents ; (4) Central Nervous System Agents ; (5) Drug / Therapeutic Agent ; (6) Enzyme inhibitors ; (7) Fungicide, bactericide, wood preservative ; (8) Immunomodulator ; (9) Reproductive Effect ; (10) Skin / Eye Irritant. It is also called TETD ; Bis(diethylthiocarbamoyl) disulfide ; Tetraethylthiuram disulfide . Its IUPAC name is diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate . And its systematic name is called 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane . Its trade names include Antabuse and Antabus . Among all the names, its superlist name include Disulfide, bis(diethylthiocarbamoyl) ; Disulfiram ; Tetraethylthiuram disulfide ; Tetraethylthiuram disulphide ; Thioperoxydicarbonic diamide, tetraethyl- . Disulfiram is stable but incompatible with strong oxidants.

Physical properties of Disulfiram are: (1) ACD/LogP: 3.88 ; (2) # of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.88 ; (4) ACD/LogD (pH 7.4): 3.88 ; (5) ACD/BCF (pH 5.5): 523.35 ; (6) ACD/BCF (pH 7.4): 523.36 ; (7) ACD/KOC (pH 5.5): 3074.04 ; (8) ACD/KOC (pH 7.4): 3074.11 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 7 ; (12) Index of Refraction: 1.619 ; (13) Molar Refractivity: 86.39 cm³ ; (14) Molar Volume: 246 cm³ ; (15) Surface Tension: 56.9 dyne/cm ; (16) Density: 1.205 g/cm³ ; (17) Flash Point: 177 °C ; (18) Enthalpy of Vaporization: 61.57 kJ/mol ; (19) Boiling Point: 369 °C at 760 mmHg ; (20) Vapour Pressure: 1.22E-05 mmHg at 25°C.

Preparation of Disulfiram : This chemical could be prepared from oxidation of sodium diethyldithiocarbamate with iodine :
2 NaS₂CNEt₂ + I₂ → Et₂NC(S)S-SC(S)NEt₂ + 2 NaI (Et = C₂H₅)

Uses of Disulfiram : This product has been used as a drug to cure chronic alcoholism. It is first discovered in 1948. At present, it has been found that it may be used in cancer therapy and cocaine dependence.

When you are using this chemical, please be cautious about it as the following:
The Disulfiram is harmful if swallowed and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. So, remember wear suitable gloves and avoid contact with skin. After use it,keep it in the container and avoid release to the environment. Its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1) SMILES:S=C(SSC(=S)N(CC)CC)N(CC)CC ;
(2) InChI:InChI=1/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3;
(3) InChIKey:AUZONCFQVSMFAP-UHFFFAOYAF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	oral	150mg/kg (150mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" GASTROINTESTINAL: NAUSEA OR VOMITING	"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 230, 1969.
dog	LDLo	oral	3500mg/kg (3500mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: ATAXIA	Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 305, 1952.
human	LDLo	oral	160mg/kg (160mg/kg)	BEHAVIORAL: COMA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM LARGE INTESTINE LIVER: "HEPATITIS, FIBROUS (CIRRHOSIS, POST-NECROTIC SCARRING)"	British Medical Journal. Vol. 2, Pg. 94, 1977.
man	LDLo	oral	150mg/kg/6W-I (150mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	Archives of Internal Medicine. Vol. 143, Pg. 1271, 1983.
man	TDLo	oral	150mg/kg/6W-I (150mg/kg)	MUSCULOSKELETAL: JOINTS	Arthritis and Rheumatism. Vol. 25, Pg. 1494, 1982.
man	TDLo	oral	450mg/kg/6W-I (450mg/kg)	BRAIN AND COVERINGS: ENCEPHALITIS LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE" SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	American Journal of Gastroenterology. Vol. 93, Pg. 830, 1998.
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)		National Technical Information Service. Vol. AD691-490,
mouse	LD50	oral	1980mg/kg (1980mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 112, Pg. 36, 1957.
mouse	LD50	subcutaneous	2600mg/kg (2600mg/kg)		Drugs in Japan Vol. -, Pg. 523, 1995.
rabbit	LD50	oral	1800mg/kg (1800mg/kg)	PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) BEHAVIORAL: ATAXIA	Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 305, 1952.
rat	LD	subcutaneous	> 4gm/kg (4000mg/kg)		Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 305, 1952.
rat	LD50	intraperitoneal	248mg/kg (248mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Journal de Pharmacologie. Vol. 9, Pg. 35, 1978.
rat	LD50	oral	500mg/kg (500mg/kg)		Archiv fuer Toxikologie. Vol. 22, Pg. 12, 1966.
women	LDLo	oral	90mg/kg/18D-I (90mg/kg)	BEHAVIORAL: COMA LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	Deutsche Medizinische Wochenschrift. Vol. 118, Pg. 1355, 1993.
women	TDLo	oral	90mg/kg/18D-I (90mg/kg)	LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"	Journal of Clinical Psychiatry. Vol. 46, Pg. 67, 1985.
women	TDLo	oral	140mg/kg/2W (140mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Southern Medical Journal. Vol. 80, Pg. 1577, 1987.

Product Name

Disulfiram

Synthetic route

Disulfiram History

Disulfiram Consensus Reports

Disulfiram Standards and Recommendations

Disulfiram Specification

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