Chemical Properties of THIAMBUTOSINE

InChI

InChI=1S/C19H25N3OS/c1-4-5-14-23-18-12-8-16(9-13-18)21-19(24)20-15-6-10-17(11-7-15)22(2)3/h6-13H,4-5,14H2,1-3H3,(H2,20,21,24)

InChI Key

JYCBKPOKWDDOOV-UHFFFAOYSA-N

Formula

C19H25N3OS

SMILES

CCCCOc1ccc(NC(=S)Nc2ccc(N(C)C)cc2)cc1

Molecular Weight¹

343.50

Other Names

• Thiourea, N-(4-butoxyphenyl)-N'-[4-(dimethylamino)phenyl]-
• Carbanilide, 4-butoxy-4'-(dimethylamino)thio-
• Ciba 1906
• Su 1906
• Summit 1906
• Thiambutosin
• 4-Butoxy-4'-(dimethylamino)thiocarbanilide
• 1-(p-Butoxyphenyl)-3-(p-dimethylaminophenyl)-2-thiourea
• 1-(4-Butoxyphenyl)-3-(4-dimethylaminophenyl)thiourea
• Thaimbutosine
• NSC 682

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[846.22; 922.42]	J/mol×K	[902.68; 1134.08]
Cp,gas	846.22	J/mol×K	902.68	Joback Calculated Property
Cp,gas	860.98	J/mol×K	941.25	Joback Calculated Property
Cp,gas	874.77	J/mol×K	979.81	Joback Calculated Property
Cp,gas	887.69	J/mol×K	1018.38	Joback Calculated Property
Cp,gas	899.87	J/mol×K	1056.95	Joback Calculated Property
Cp,gas	911.41	J/mol×K	1095.52	Joback Calculated Property
Cp,gas	922.42	J/mol×K	1134.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to THIAMBUTOSINE.

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.