Chemical Properties of 1,4-Dithiothreitol (CAS 3483-12-3)

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
• (R*,R*)-1,4-dimercaptobutane-2,3-diol
• 1,4-Disulfanyl-2,3-butanediol, dl, threo-
• 1,4-Dithio-dl-threitol
• 2,3-Butanediol, 1,4-dimercapto-, (2R,3R)-rel-
• 2,3-Butanediol, 1,4-dimercapto-, (R*,R*)-(.+/-.)-
• 2,3-Butanediol, 1,4-dimercapto-, (r*,r*)-
• 2,3-Butanediol, 1,4-dimercapto-, dl, threo-
• Cleland's reagent
• DL-1,4-Dithiothreitol
• DL-threo-1,4-Dimercapto-2,3-butanediol
• DTT
• Dithiothreitol
• Sputolysin
• Threitol, 1,4-dithio-
• Threitol, 1,4-dithio-, dl-
• WR 34678
• dl-Dithiothreitol
• rac-Dithiothreitol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[156.28; 314.85]	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			3.62520e+01
Coefficient B			5.18200e-01
Coefficient C			-3.05800e-04
Coefficient D			6.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	156.28	J/mol×K	273.00	Calculated Property
Cp,gas	184.24	J/mol×K	353.78	Calculated Property
Cp,gas	209.12	J/mol×K	434.56	Calculated Property
Cp,gas	231.15	J/mol×K	515.33	Calculated Property
Cp,gas	250.51	J/mol×K	596.11	Calculated Property
Cp,gas	267.44	J/mol×K	676.89	Calculated Property
Cp,gas	282.12	J/mol×K	757.67	Calculated Property
Cp,gas	294.78	J/mol×K	838.44	Calculated Property
Cp,gas	305.62	J/mol×K	919.22	Calculated Property
Cp,gas	314.85	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Dithiothreitol.

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
• Crippen Method
• Joback Method
• 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. Take the time to validate and double check the source of the data.
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