Chemical Properties of Thiambutosine (CAS 500-89-0)

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

343.49

CAS

500-89-0

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_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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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

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

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

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