- InChI
- InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
- InChI Key
- VHJLVAABSRFDPM-UHFFFAOYSA-N
- Formula
- C4H10O2S2
- SMILES
- OC(CS)C(O)CS
- Molecular Weight1
- 154.25
- CAS
- 3483-12-3
- Other Names
-
- Dithiothreitol
- 1,4-Dithio-dl-threitol
- dl-Dithiothreitol
- 2,3-Butanediol, 1,4-dimercapto-, (R*,R*)-(.+/-.)-
- Threitol, 1,4-dithio-, dl-
- 2,3-Butanediol, 1,4-dimercapto-, dl, threo-
- Cleland's reagent
- DL-threo-1,4-Dimercapto-2,3-butanediol
- DL-1,4-Dithiothreitol
- rac-Dithiothreitol
- DTT
- 1,4-Disulfanyl-2,3-butanediol, dl, threo-
- (.+/-.)-Dithiothreitol
- 2,3-Butanediol, 1,4-dimercapto-, (2R,3R)-rel-
- Sputolysin
- Threitol, 1,4-dithio-
- WR 34678
- (R*,R*)-1,4-dimercaptobutane-2,3-diol
- 2,3-Butanediol, 1,4-dimercapto-, (r*,r*)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7138 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.432 | Crippen Calculated Property | |
| McVol | 111.660 | ml/mol | McGowan Calculated Property |
| Pc | 6161.14 | kPa | Joback Calculated Property |
| Tboil | 580.87 | K | Relay (1.0) Calculated Property |
| Tc | 828.22 | K | Relay (1.0) Calculated Property |
| Tfus | 336.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.41; 288.94] | J/mol×K | [600.12; 799.63] | 
|
| Cp,gas | 251.41 | J/mol×K | 600.12 | Joback Calculated Property |
| Cp,gas | 258.61 | J/mol×K | 633.37 | Joback Calculated Property |
| Cp,gas | 265.41 | J/mol×K | 666.62 | Joback Calculated Property |
| Cp,gas | 271.83 | J/mol×K | 699.87 | Joback Calculated Property |
| Cp,gas | 277.88 | J/mol×K | 733.12 | Joback Calculated Property |
| Cp,gas | 283.58 | J/mol×K | 766.38 | Joback Calculated Property |
| Cp,gas | 288.94 | J/mol×K | 799.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dithiothreitol.
Sources
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