- InChI
- InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
- InChI Key
- AUZONCFQVSMFAP-UHFFFAOYSA-N
- Formula
- C10H20N2S4
- SMILES
- CCN(CC)C(=S)SSC(=S)N(CC)CC
- Molecular Weight1
- 296.54
- CAS
- 97-77-8
- Other Names
-
- 1,1'-Dithiobis(N,N-diethylthioformamide)
- Abstensil
- Abstinil
- Abstinyl
- Accel TET
- Akrochem TETD
- Alcophobin
- Alk-Aubs
- Ancazide ET
- Antabus
- Antabuse
- Antadix
- Antaenyl
- Antaethan
- Antaethyl
- Antaetil
- Antalcol
- Antetan
- Antethyl
- Antetil
- Anteyl
- Anthethyl
- Antiaethan
- Aversan
- Averzan
- Bis((diethylamino)thioxomethyl) disulfide
- Bis((diethylamino)thioxomethyl)disulphide
- Bis(N,N-diethylthiocarbamoyl) disulfide
- Bis(N,N-diethylthiocarbamoyl)disulphide
- Bis(diethylthiocarbamoyl) disulfide
- Bis(diethylthiocarbamoyl)disulphide
- Bonibal
- Contralin
- Contrapot
- Cronetal
- Dicupral
- Disetil
- Disulfan
- Disulfide, bis(diethylthiocarbamoyl)
- Disulfuram
- Disulphuram
- Dupon 4472
- Dupont fungicide 4472
- ENT 27,340
- Ekagom DTET
- Ekagom TEDS
- Ekagom TETDS
- Ekaland TETD
- Ephorran
- Espenal
- Esperal
- Etabus
- Ethyl Thiudad
- Ethyl Tuads
- Ethyl Tuads Rodform
- Ethyl Tuex
- Ethyl thiram
- Ethyl thiurad
- Ethyldithiourame
- Ethyldithiurame
- Exhoran
- Exhorran
- Formamide, 1,1'-dithiobis(N,N-diethylthio)-
- Hoca
- Hocakrotenalnci-C02959
- Krotenal
- N,N,N',N'-Tetraethylthiuram disulfide
- N,N,N',N'-Tetraethylthiuram disulphide
- NCI-C02959
- NSC 190940
- Nocbin
- Noxal
- Perkacit TETD
- Perkait TETD
- Refusal
- Ro-sulfiram
- Sanceler TET-G
- Soxinol TET
- Stopaethyl
- Stopetyl
- TATD
- TETD
- TTD
- TTS
- Tenurid
- Tenutex
- Tetidis
- Tetradin
- Tetradine
- Tetraethyldithiuram disulfide
- Tetraethylthioperoxydicarbonic diamide
- Tetraethylthiram disulfide
- Tetraethylthiram disulphide
- Tetraethylthiuram
- Tetraethylthiuram disulfide
- Tetraethylthiuram disulphide
- Tetraethylthiuram sulfide
- Tetraethylthiuran disulfide
- Tetraetil
- Teturam
- Teturamin
- Thiocid
- Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N',N'-tetraethyl-
- Thioperoxydicarbonic diamide, tetraethyl-
- Thiosan
- Thioscabin
- Thireranide
- Thiuram E
- Thiuram disulfide, tetraethyl-
- Thiuranide
- Tillram
- Tiuram
- Tuads, ethyl
- USAF B-33
- anti-Ethyl
- antiCol
- antiEtanol
- antiEtil
- antiKol
- antiVitium
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -12.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.16 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.86; -3.00] |
|
|
| log10WS | -4.72 | Aq. Solubility Prediction | |
| log10WS | -4.86 | Estimated Solubility | |
| log10WS | -3.00 | Rytting (2005) | |
| logPoct/wat | 3.621 | Crippen Calculated Property | |
| McVol | 228.520 | ml/mol | McGowan Calculated Property |
| Inp | [2135.00; 2141.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2141.00 | NIST | |
| Inp | 2141.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tfus | 343.77 | K | Aq. Solubility Prediction |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.92; 654.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.56600e+00 | |||
| Coefficient B | 1.40524e+00 | |||
| Coefficient C | -1.08780e-03 | |||
| Coefficient D | 3.40400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 305.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 372.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 429.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 478.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 519.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 554.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 584.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 610.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 633.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfiram.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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