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_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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.06	kJ/mol	Joback Calculated Property
ΔsubH°	100.50 ± 3.40	kJ/mol	NIST
IE	[8.25; 8.25]	eV
IE	8.25	eV	NIST
IE	8.25 ± 0.03	eV	NIST
logPoct/wat	1.019		Crippen Calculated Property
McVol	80.650	ml/mol	McGowan Calculated Property
Tboil	467.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[144.12; 194.65]	J/mol×K	[456.72; 727.44]
Cp,gas	144.12	J/mol×K	456.72	Joback Calculated Property
Cp,gas	154.23	J/mol×K	501.84	Joback Calculated Property
Cp,gas	163.65	J/mol×K	546.96	Joback Calculated Property
Cp,gas	172.39	J/mol×K	592.08	Joback Calculated Property
Cp,gas	180.46	J/mol×K	637.20	Joback Calculated Property
Cp,gas	187.88	J/mol×K	682.32	Joback Calculated Property
Cp,gas	194.65	J/mol×K	727.44	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

• 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.