Chemical Properties of Thiophanate

InChI

InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)

InChI Key

YFNCATAIYKQPOO-UHFFFAOYSA-N

Formula

C14H18N4O4S2

SMILES

CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC

Molecular Weight¹

370.46

Other Names

• Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, diethyl ester
• Allophanic acid, 4,4'-o-phenylenebis[3-thio-, diethyl ester
• BAS 3220
• Cercobin
• Enovit
• Ethyl thiophanate
• NF 35
• NF 35, Fungicide
• PELT
• Thiofanate
• Thiophanat (German)
• Thiophanate ethyl
• Topsin
• Topsin NF 35
• 1,2-Bis(3-ethoxycarbonyl-2-thioureido)benzene
• 1,2-Bis[3-(ethoxycarbonyl)thioureido]benzene
• Cleary's 3336
• Diethyl 4,4'-o-phenylene-bis(3-thioallophanate)
• Thiophanat
• 4,4'-o-Phenylenebis(ethyl 3-thioallophanate)
• Nemafax
• NSC 170810
• Pelt (pesticide)
• Topsin E
• Cleary 3336

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[783.80; 837.82]	J/mol×K	[1044.72; 1289.21]
Cp,gas	783.80	J/mol×K	1044.72	Joback Calculated Property
Cp,gas	793.56	J/mol×K	1085.47	Joback Calculated Property
Cp,gas	802.86	J/mol×K	1126.22	Joback Calculated Property
Cp,gas	811.82	J/mol×K	1166.96	Joback Calculated Property
Cp,gas	820.56	J/mol×K	1207.71	Joback Calculated Property
Cp,gas	829.19	J/mol×K	1248.46	Joback Calculated Property
Cp,gas	837.82	J/mol×K	1289.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiophanate.

Sources

• Cheméo Relay (1.0)
• 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.