Disulfiram
CAS Number: 97-77-8
Molecular Mass: 296.5 g/mol
Formula: C10H20N2S4
Smiles: CCN(CC)C(=S)SSC(=S)N(CC)CC
Synonymes:
Disulfiram, disulfiram, Tetraethylthiuram disulfide, 97-77-8, Antabuse, Bis(diethylthiocarbamoyl) disulfide, Antabus, Esperal, Teturam, Alcophobin, Anticol, Exhorran, Abstinyl, Antadix, Antietil, Aversan, Dicupral, Refusal, Teturamin, Hoca, TETD, Ethyl Thiram, Ethyldithiurame, Abstensil, Abstinil, Antaethyl, Antalcol, Antiaethan, Antietanol, Antivitium, Disulfan, Tetraetil, Antetan, Antetil, Antikol, Averzan, Tenurid, Ethyl tuads, Ethyl Tuex, Contrapot, Disulfuram, Antaenyl, Antaetil, Bonibal, Disetil, Ephorran, Tenutex, Tetidis, Anteyl, Nocbin, Ekagom TEDS, Ethyldithiourame, Ekagom TETDS, Anti-ethyl, Alk-aubs, Soxinol TET, Stopaethyl, TATD, Tetraethylthiuram disulphide, Espenal, Exhoran, Ekagom DTET, Accel TET, Sanceler TET-G, Tetraethylthioperoxydicarbonic diamide, Tetraethylthiram disulfide, Ro-sulfiram, Tetraethylthiuram, Tuads, ethyl, Sanceler TET, Usaf B-33, Antaethan, Antethyl, Tetradin, Thireranide, Tillram, Ethyl Thiudad, Dupon 4472, Nocceler TET, Tetraethylthiuran disulfide, Disulfirame, Disulphuram, Stopethyl, Dupont fungicide 4472, Tetraethylthiram disulphide, Disulfiramum, Disulfiramo, Antivitium (Spain), Esperal [France], Tetraethylthiuram sulfide, N,N,N',N'-Tetraethylthiuram disulfide, Abstensyl (Argentina), Ro-Sulfram-500 (USA), diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate, 1,1'-Dithiobis(N,N-diethylthioformamide), Tetraethylthiurium disulfide, Bis(diethylthiocarbamoyl)disulphide, NCI-C02959, Refusal [Netherlands], NSC-25953, DTXSID1021322, TR3MLJ1UAI, Bis((diethylamino)thioxomethyl) disulfide, Bis((diethylamino)thioxomethyl)disulphide, NSC 25953, ORA102, ORA-102, NSC25953, N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide, CHEBI:4659, DTXCID101322, Thioperoxydicarbonic diamide (((H2N)C(S))2S2), tetraethyl-, Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl-, Esperal (France), Refusal (Netherlands), Bis[(diethylamino)thioxomethyl] disulfide, 1,1'-Dithiobis[N,N-diethylthioformamide], N,N-diethyl((diethylcarbamothioyl)disulfanyl)carbothioamide, RefChem:589812, N07BB01, P03AA04, 202-607-8, Disulfide, Tetraethylthiuram, Tetraethylthioperoxydicarbonic Diamide, ((H2N)C(S))2S2, Thioscabin, Tiuram, Cronetal, Etabus, Contralin, Tetradine, Krotenal, Noxal, Ethyl Thiurad, Stopetyl, Thiuranide, Thiuram E, Accel TET-R, Anthethyl, Hocakrotenalnci-C02959, Bis(diethylthiocarbamyl) disulfide, Thiuram disulfide, tetraethyl-, Antabuse (TN), Bis(N,N-diethylthiocarbamoyl) disulfide, Disulfide, bis(diethylthiocarbamoyl), C10H20N2S4, ENT 27,340, Thioperoxydicarbonic diamide, tetraethyl-, NSC 190940, Bis(N,N-diethylthiocarbamoyl)disulphide, N,N,N',N'-Tetraethylthiuram disulphide, Tetraethylthiuram disulfide, TETD, TTS, MFCD00009048, CHEMBL964, MLS000069818, Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl-, s1680, CAS-97-77-8, NCGC00016000-08, NCGC00016000-13, SMR000059171, 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane, Ancazide ET, Akrochem TETD, Perkacit TETD, Ekaland TETD, Perkait TETD, Ethyl Tuads Rodform, 1,1',1'',1'''-{disulfanediylbis[(thioxomethylene)-nitrilo]}tetraethane, Disulfiramum [INN-Latin], Disulfiramo [INN-Spanish], CCRIS 582, HSDB 3317, SR-01000076145, UNII-TR3MLJ1UAI, EINECS 202-607-8, AI3-27340, Disulfiram CRS, Formamide, 1,1'-dithiobis(N,N-diethylthio-, Thioperoxydicarbonic diamide (((H2N)C(S))2S2), N,N,N',N'-tetraethyl-, Disulfiram [USP:INN:BAN:JAN], Prestwick_182, Disulfiram (Antabuse), Disulfiram (Standard), Spectrum_001010, CPD000059171, Disulfiram (Antabuse)?, DISULFIRAM [MI], Opera_ID_224, DISULFIRAM [INN], DISULFIRAM [JAN], Prestwick0_000097, Prestwick1_000097, Prestwick2_000097, Prestwick3_000097, Spectrum2_001176, Spectrum3_000405, Spectrum4_000228, Spectrum5_001590, DISULFIRAM [HSDB], DISULFIRAM [IARC], Lopac-T-1132, 1,N-diethylthioformamide], DISULFIRAM [VANDF], Formamide, 1,1'-dithiobis(N,N-diethylthio)-, UPCMLD-DP090, EC 202-607-8, T 1132, tetraethyl thiuram disulfide, DISULFIRAM [MART.], Tetraethyldithiuram disulfide, DISULFIRAM [WHO-DD], Lopac0_001164, SCHEMBL27213, BSPBio_000054, BSPBio_001930, KBioGR_000895, KBioSS_001490, MLS000758264, MLS001076475, MLS001423963, SPECTRUM1500262, SPBio_001191, SPBio_001993, BPBio1_000060, Disulfiram (JP18/USP/INN), GTPL7168, orb1310987, DISULFIRAM [EP IMPURITY], DISULFIRAM [ORANGE BOOK], UPCMLD-DP090:001, HY-B0240R, KBio2_001490, KBio2_004058, KBio2_006626, KBio3_001150, DISULFIRAM [EP MONOGRAPH], Thioperoxydicarbonic diamide ((H2N)C(S))2S2, tetraethyl-, DISULFIRAM [USP MONOGRAPH], HMS1568C16, HMS1920I16, HMS2051M17, HMS2090C18, HMS2091O22, HMS2095C16, HMS2230K06, HMS3263J09, HMS3371B21, HMS3393M17, HMS3655I19, HMS3712C16, HMS3867H13, HMS5079P10, Pharmakon1600-01500262, HY-B0240, bis-(diethyl-thiocarbamyl)-disulfide, Tox21_110280, Tox21_300403, Tox21_400072, Tox21_501164, BDBM50058655, CCG-39549, DL-379, EBC-03638, HB1119, N,N',N'-Tetraethylthiuram disulfide, NSC756748, NSC800739, SBB058706, STL069539, AKOS000120201, Tox21_110280_1, AT13284, DB00822, FD22545, HS-0057, LP01164, NC00063, NSC-756748, NSC-800739, SDCCGSBI-0051131.P005, WLN: 2N2 & YUS & S 2, NCGC00016000-01, NCGC00016000-02, NCGC00016000-03, NCGC00016000-04, NCGC00016000-05, NCGC00016000-06, NCGC00016000-07, NCGC00016000-09, NCGC00016000-10, NCGC00016000-11, NCGC00016000-12, NCGC00016000-14, NCGC00016000-15, NCGC00016000-18, NCGC00016000-20, NCGC00016000-29, NCGC00094423-01, NCGC00094423-02, NCGC00094423-03, NCGC00094423-05, NCGC00094423-06, NCGC00094423-07, NCGC00254447-01, NCGC00261849-01, N,N,N'',N''-tetraethylthiuram disulfide, BIS(DIETHYLTHIOCARBAMOYL) DISULPHIDE, Formamide,1'-dithiobis(N,N-diethylthio)-, SBI-0051131.P004, 1,1''-dithiobis(N,N-diethylthioformamide), DB-057683, AB00051976, B0479, EU-0101164, NS00010096, SW196492-4, Tetraethylthiuram disulfide, >=97.0% (S), EN300-19458, C01692, D00131, S00294, AB00051976-20, AB00051976-21, AB00051976-23, AB00051976_22, AB00051976_25, F358235, Q409665, SR-01000076145-1, SR-01000076145-5, SR-01000076145-8, BRD-K32744045-001-05-6, BRD-K32744045-001-17-1, BRD-K32744045-001-30-4, BRD-K32744045-001-31-2, Z104473910, Disulfiram, British Pharmacopoeia (BP) Reference Standard, Disulfiram, European Pharmacopoeia (EP) Reference Standard, Disulfiram, United States Pharmacopeia (USP) Reference Standard, (diethylamino){[(diethylamino)thioxomethyl]disulfanyl}methane-1-thione, 1,1'',1'''',1''''''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane, Disulfiram, Pharmaceutical Secondary Standard, Certified Reference Material, THIOPEROXYDICARBONIC DIAMIDE ((H2N)C(S))(SUB 2) S(SUB 2), TETRAETHYL-, InChI=1/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H, TETRAETHYLTHIOPEROXYDICARBONIC DIAMIDE ((((C(SUB 2)H(SUB 5))(SUB 2)N)C(S))(SUB 2)S(SUB 2))
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 273.15 | - | 3.601 | [306] |
| 1-Butanol | 278.15 | - | 5.099 | [306] |
| 1-Butanol | 283.15 | - | 7.077 | [306] |
| 1-Butanol | 288.15 | - | 9.14 | [306] |
| 1-Butanol | 293.15 | - | 12.19 | [306] |
| 1-Butanol | 298.15 | - | 16.78 | [306] |
| 1-Butanol | 303.15 | - | 23.1 | [306] |
| 1-Butanol | 308.15 | - | 33.49 | [306] |
| 1-Butanol | 313.15 | - | 48.69 | [306] |
| 1-Butanol | 318.15 | - | 67.14 | [306] |
| 1-Propanol | 273.15 | - | 4.091 | [306] |
| 1-Propanol | 278.15 | - | 5.119 | [306] |
| 1-Propanol | 283.15 | - | 6.701 | [306] |
| 1-Propanol | 288.15 | - | 9.144 | [306] |
| 1-Propanol | 293.15 | - | 11.97 | [306] |
| 1-Propanol | 298.15 | - | 16.76 | [306] |
| 1-Propanol | 303.15 | - | 22.54 | [306] |
| 1-Propanol | 308.15 | - | 31.37 | [306] |
| 1-Propanol | 313.15 | - | 41.62 | [306] |
| 1-Propanol | 318.15 | - | 61.04 | [306] |
| Acetonitrile | 273.15 | - | 78.96 | [306] |
| Acetonitrile | 278.15 | - | 102.2 | [306] |
| Acetonitrile | 283.15 | - | 140.8 | [306] |
| Acetonitrile | 288.15 | - | 184.0 | [306] |
| Acetonitrile | 293.15 | - | 241.8 | [306] |
| Acetonitrile | 298.15 | - | 331.8 | [306] |
| Acetonitrile | 303.15 | - | 479.9 | [306] |
| Acetonitrile | 308.15 | - | 669.9 | [306] |
| Acetonitrile | 313.15 | - | 901.4 | [306] |
| Acetonitrile | 318.15 | - | 1229.6 | [306] |
| Dichloromethane | 273.15 | - | 589.8 | [306] |
| Dichloromethane | 278.15 | - | 633.1 | [306] |
| Dichloromethane | 283.15 | - | 700.5 | [306] |
| Dichloromethane | 288.15 | - | 780.6 | [306] |
| Dichloromethane | 293.15 | - | 876.3 | [306] |
| Dichloromethane | 298.15 | - | 977.8 | [306] |
| Dichloromethane | 303.15 | - | 1155.1 | [306] |
| Dichloromethane | 308.15 | - | 1344.0 | [306] |
| Dichloromethane | 313.15 | - | 1606.6 | [306] |
| Ethanol | 273.15 | - | 4.694 | [306] |
| Ethanol | 278.15 | - | 5.74 | [306] |
| Ethanol | 283.15 | - | 7.351 | [306] |
| Ethanol | 288.15 | - | 9.822 | [306] |
| Ethanol | 293.15 | - | 13.55 | [306] |
| Ethanol | 298.15 | - | 17.19 | [306] |
| Ethanol | 303.15 | - | 23.53 | [306] |
| Ethanol | 308.15 | - | 31.7 | [306] |
| Ethanol | 313.15 | - | 45.69 | [306] |
| Ethanol | 318.15 | - | 65.38 | [306] |
| Ethyl acetate | 273.15 | - | 22.23 | [306] |
| Ethyl acetate | 278.15 | - | 31.6 | [306] |
| Ethyl acetate | 283.15 | - | 44.6 | [306] |
| Ethyl acetate | 288.15 | - | 62.45 | [306] |
| Ethyl acetate | 293.15 | - | 85.69 | [306] |
| Ethyl acetate | 298.15 | - | 126.9 | [306] |
| Ethyl acetate | 303.15 | - | 181.1 | [306] |
| Ethyl acetate | 308.15 | - | 261.4 | [306] |
| Ethyl acetate | 313.15 | - | 352.1 | [306] |
| Ethyl acetate | 318.15 | - | 487.9 | [306] |
| Isobutanol | 273.15 | - | 3.307 | [306] |
| Isobutanol | 278.15 | - | 3.878 | [306] |
| Isobutanol | 283.15 | - | 4.736 | [306] |
| Isobutanol | 288.15 | - | 6.395 | [306] |
| Isobutanol | 293.15 | - | 8.46 | [306] |
| Isobutanol | 298.15 | - | 11.2 | [306] |
| Isobutanol | 303.15 | - | 16.6 | [306] |
| Isobutanol | 308.15 | - | 24.82 | [306] |
| Isobutanol | 313.15 | - | 35.05 | [306] |
| Isobutanol | 318.15 | - | 48.23 | [306] |
| Isopropanol | 273.15 | - | 2.236 | [306] |
| Isopropanol | 278.15 | - | 2.89 | [306] |
| Isopropanol | 283.15 | - | 3.848 | [306] |
| Isopropanol | 288.15 | - | 5.19 | [306] |
| Isopropanol | 293.15 | - | 6.99 | [306] |
| Isopropanol | 298.15 | - | 10.0 | [306] |
| Isopropanol | 303.15 | - | 13.31 | [306] |
| Isopropanol | 308.15 | - | 18.0 | [306] |
| Isopropanol | 313.15 | - | 24.83 | [306] |
| Isopropanol | 318.15 | - | 36.68 | [306] |
| Methanol | 273.15 | - | 6.721 | [306] |
| Methanol | 278.15 | - | 7.832 | [306] |
| Methanol | 283.15 | - | 9.938 | [306] |
| Methanol | 288.15 | - | 12.69 | [306] |
| Methanol | 293.15 | - | 17.24 | [306] |
| Methanol | 298.15 | - | 23.58 | [306] |
| Methanol | 303.15 | - | 30.5 | [306] |
| Methanol | 308.15 | - | 39.1 | [306] |
| Methanol | 313.15 | - | 52.98 | [306] |
| Methanol | 318.15 | - | 75.79 | [306] |
| Tetrahydrofuran | 273.15 | - | 246.3 | [306] |
| Tetrahydrofuran | 278.15 | - | 288.0 | [306] |
| Tetrahydrofuran | 283.15 | - | 332.5 | [306] |
| Tetrahydrofuran | 288.15 | - | 381.8 | [306] |
| Tetrahydrofuran | 293.15 | - | 457.4 | [306] |
| Tetrahydrofuran | 298.15 | - | 547.8 | [306] |
| Tetrahydrofuran | 303.15 | - | 644.7 | [306] |
| Tetrahydrofuran | 308.15 | - | 750.5 | [306] |
| Tetrahydrofuran | 313.15 | - | 877.3 | [306] |
| Tetrahydrofuran | 318.15 | - | 1043.7 | [306] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1007.2340 |
| PMI2 | 2074.9131 |
| PMI3 | 2362.6311 |
| NPR1 | 0.4263 |
| NPR2 | 0.8782 |
| RadiusOfGyration | 3.0299 |
| InertialShapeFactor | 0.0009 |
| Eccentricity | 0.9046 |
| Asphericity | 0.2064 |
| SpherocityIndex | 0.3386 |
| PBF | 1.0065 |