Chemical Properties of 2-Thiazolidinethione (CAS 96-53-7)

InChI

InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)

InChI Key

WGJCBBASTRWVJL-UHFFFAOYSA-N

Formula

C3H5NS2

SMILES

SC1=NCCS1

Molecular Weight¹

119.21

CAS

96-53-7

Other Names

• Mercaptothiazoline
• Metabasal
• Thiazolidine-2-thione
• Thyroidan
• 1,3-Thiazolidine-2-thione
• 2(3H)-Thiazolethione, 4,5-dihydro-
• 2-Mercapto-«DELTA»2-thiazoline
• 2-Mercapto-2-thiazoline
• 2-Mercaptothiazoline
• 2-Thiazolidenethione
• 2-Thiazoline-2-thiol
• 2-Thiothiazolidone
• 4,5-Dihydro-2-mercaptothiazole
• Thiazolidin-2-thione
• Thiazoline-2-thiol
• 2-Thiozolidinethione
• Tetrahydrothiazole-2-thione
• 4,5-Dihydro-thiazole-2-thiol
• NSC 680
• Sancelent 2MT
• WR 305

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	225.00	kJ/mol	Joback Calculated Property
ΔfH°gas	176.59	kJ/mol	Joback Calculated Property
ΔfusH°	10.06	kJ/mol	Joback Calculated Property
ΔsubH°	100.50 ± 3.40	kJ/mol	NIST
ΔvapH°	42.55	kJ/mol	Joback Calculated Property
IE	[8.25; 8.25]	eV
IE	8.25	eV	NIST
IE	8.25 ± 0.03	eV	NIST
log10WS	-1.08		Crippen Calculated Property
logPoct/wat	1.019		Crippen Calculated Property
McVol	80.650	ml/mol	McGowan Calculated Property
Pc	6796.39	kPa	Joback Calculated Property
Tboil	456.52	K	Joback Calculated Property
Tc	727.13	K	Joback Calculated Property
Tfus	343.44	K	Joback Calculated Property
Vc	0.281	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.07; 194.61]	J/mol×K	[456.52; 727.13]
Cp,gas	144.07	J/mol×K	456.52	Joback Calculated Property
Cp,gas	154.18	J/mol×K	501.62	Joback Calculated Property
Cp,gas	163.60	J/mol×K	546.72	Joback Calculated Property
Cp,gas	172.34	J/mol×K	591.82	Joback Calculated Property
Cp,gas	180.41	J/mol×K	636.92	Joback Calculated Property
Cp,gas	187.83	J/mol×K	682.02	Joback Calculated Property
Cp,gas	194.61	J/mol×K	727.13	Joback Calculated Property
ΔfusH	16.80	kJ/mol	377.00	NIST
ΔsubH	99.80 ± 3.40	kJ/mol	342.00	NIST

Similar Compounds

Find more compounds similar to 2-Thiazolidinethione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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