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

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
343.49
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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.9066 Relay (1.0) Calculated Property
ΔfG° 616.28 kJ/mol Joback Calculated Property
ΔfH°gas 13.40 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 51.28 kJ/mol Joback Calculated Property
ΔvapH° 121.49 kJ/mol Relay (1.0) Calculated Property
IE 6.39 eV Relay (1.0) Calculated Property
log10WS -5.93 Relay (1.0) Calculated Property
logPoct/wat 4.740 Crippen Calculated Property
McVol 278.910 ml/mol McGowan Calculated Property
Pc 1872.41 kPa Joback Calculated Property
Tboil 692.52 K Relay (1.0) Calculated Property
Tc 1025.34 K Relay (1.0) Calculated Property
Tfus 443.67 K Relay (1.0) Calculated Property
Vc 0.967 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [846.22; 922.42] J/mol×K [902.68; 1134.08] Show Hide
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

Tiocarlide. Benzoic acid, 4-amino-3-butoxy-, 2-(diethylamino)ethyl ester. Benzenamine, N,N-bis(2-hydroxy-3-phenoxypropyl)-. Acebutolol hydrolysed, acetylated. Aniline, p-(2,3-epoxypropoxy)-N,N-bis(2,3-epoxypropyl)-. Acebutolol. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane. Glutaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, butyl ester. Bamipine, nor-hydroxy, acetylated. Glutaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, pentyl ester. Practolol. Flumiclorac-pentyl. Fumaric acid, monoamide, N-(2,4-dimethoxyphenyl)-, 2-pentyl ester. Acebutolol, N-ethoxycarbonylated, TMS. Bamipine, hydroxy, acetylated.

Find more compounds similar to Thiambutosine.

Sources

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.