Chemical Properties of Ethanethiol, 2,2'-thiobis-

InChI

InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2

InChI Key

KSJBMDCFYZKAFH-UHFFFAOYSA-N

Formula

C4H10S3

SMILES

SCCSCCS

Molecular Weight¹

154.33

Other Names

• Ethanethiol, 2,2'-thiodi-
• Bis(mercaptoethyl) sulfide
• Bis(2-mercaptoethyl) sulfide
• TDT
• 1-Mercapto-2-(mercaptoethylthio)ethane
• 2-Mercaptoethyl sulfide
• 2,2'-Dimercaptodiethyl sulfide
• 2,2'-Thiodiethanethiol
• 3-Thia-1,5-pentanedithiol
• «beta»,«beta»'-Dimercaptoethyl sulfide
• Bis(«beta»-mercaptoethyl) sulfide
• 1,5-Dimercapto-3-thiapentane
• Bis(2-sulfanylethyl) sulfide
• NSC 4766

• 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).
• T_boilr : Boiling point at reduced pressure (K).
• 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.41; 303.02]	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			4.86340e+01
Coefficient B			4.32790e-01
Coefficient C			-1.98400e-04
Coefficient D			2.00000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.41	J/mol×K	273.00	Calculated Property
Cp,gas	177.80	J/mol×K	353.78	Calculated Property
Cp,gas	200.88	J/mol×K	434.56	Calculated Property
Cp,gas	221.71	J/mol×K	515.33	Calculated Property
Cp,gas	240.36	J/mol×K	596.11	Calculated Property
Cp,gas	256.88	J/mol×K	676.89	Calculated Property
Cp,gas	271.35	J/mol×K	757.67	Calculated Property
Cp,gas	283.82	J/mol×K	838.44	Calculated Property
Cp,gas	294.36	J/mol×K	919.22	Calculated Property
Cp,gas	303.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanethiol, 2,2'-thiobis-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.