Chemical Properties of Benzenamine, 4,4'-thiobis- (CAS 139-65-1)

InChI

InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2

InChI Key

ICNFHJVPAJKPHW-UHFFFAOYSA-N

Formula

C12H12N2S

SMILES

Nc1ccc(Sc2ccc(N)cc2)cc1

Molecular Weight¹

216.30

CAS

139-65-1

Other Names

• 4,4'-Diaminodiphenyl sulfide
• 4,4'-Diaminodiphenylsulphide
• 4,4'-Diaminophenyl sulfide
• 4,4'-Thioaniline
• 4,4'-Thiobis(aniline)
• 4,4'-Thiobisbenzenamine
• 4,4'-Thiodianiline
• 4,4-Diaminodiphenyl sulphide
• Aniline, 4,4'-thiodi-
• Bis(4-aminophenyl) sulfide
• Bis(4-aminophenyl)sulphide
• Bis(p-aminophenyl)sulfide
• Bis(p-aminophenyl)sulphide
• Di(p-aminophenyl) sulfide
• Di(p-aminophenyl)sulphide
• NCI-C01707
• NSC 6191
• Sulfide, bis(p-aminophenyl)
• Thioaniline
• Thiodi-p-phenylenediamine
• p,p'-Diaminodiphenyl sulfide
• p,p'-Diaminodiphenyl sulphide
• p,p-Thiodianiline

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[211.89; 493.82]	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			-1.46500e+01
Coefficient B			9.85190e-01
Coefficient C			-6.03920e-04
Coefficient D			1.27200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.89	J/mol×K	273.00	Calculated Property
Cp,gas	263.93	J/mol×K	353.78	Calculated Property
Cp,gas	309.86	J/mol×K	434.56	Calculated Property
Cp,gas	350.08	J/mol×K	515.33	Calculated Property
Cp,gas	384.98	J/mol×K	596.11	Calculated Property
Cp,gas	414.96	J/mol×K	676.89	Calculated Property
Cp,gas	440.44	J/mol×K	757.67	Calculated Property
Cp,gas	461.80	J/mol×K	838.44	Calculated Property
Cp,gas	479.46	J/mol×K	919.22	Calculated Property
Cp,gas	493.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, 4,4'-thiobis-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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