Chemical Properties of 6-PROPYL-2-THIOURACIL

InChI

InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

InChI Key

KNAHARQHSZJURB-UHFFFAOYSA-N

Formula

C7H10N2OS

SMILES

CCCc1cc(=O)[nH]c(=S)[nH]1

Molecular Weight¹

170.24

Other Names

• 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone
• 2-Mercapto-4-hydroxy-6-n-propylpyrimidine
• 2-Mercapto-6-propyl-4-pyrimidone
• 2-Mercapto-6-propylpyrimid-4-one
• 2-thio-4-oxo-6-propyl-1,3-pyrimidine
• 2-thio-6-propyl-1,3-pyrimidin-4-one
• 4(1H)-Pyrimidinone, 2,3-dihydro-6-propyl-2-thioxo-
• 4-Hydroxy-2-mercapto-6-propylpyrimidine
• 6-Propil-tiouracile
• 6-Propyl-2-thio-2,4(1H,3H)-pyrimidinedione
• 6-Propylthiouracil
• 6-Thio-4-propyluracil
• 6-n-Propyl-2-thiouracil
• 6-n-Propylthiouracil
• NSC 6498
• PTU
• PTU (thyreostatic)
• Procasil
• Propacil
• Propilthiouracil
• Propycil
• Propyl-Thiorist
• Propyl-Thyracil
• Propylthiorit
• Propythiouracil
• Prothiucil
• Prothiurone
• Prothycil
• Prothyran
• Protiural
• Tegretol
• Thiuragyl
• Thyreostat II
• Uracil, 6-propyl-2-thio-
• propylthiouracil

• 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_vap : Vapor pressure (kPa).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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
Pvap	[1.03e-04; 8.53e-04]	kPa	[401.14; 423.21]
Pvap	1.03e-04	kPa	401.14	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	1.24e-04	kPa	403.18	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	1.51e-04	kPa	405.17	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	1.96e-04	kPa	407.15	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	2.31e-04	kPa	409.17	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	2.74e-04	kPa	411.16	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	3.32e-04	kPa	413.15	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	4.10e-04	kPa	415.17	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	4.84e-04	kPa	417.18	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	5.83e-04	kPa	419.15	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	7.14e-04	kPa	421.22	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
Pvap	8.53e-04	kPa	423.21	Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.

Similar Compounds

Find more compounds similar to 6-PROPYL-2-THIOURACIL.

Mixtures

• 6-PROPYL-2-THIOURACIL + Methyl Alcohol + Water
• 6-PROPYL-2-THIOURACIL + Ethanol + Water
• 1-Propanol + 6-PROPYL-2-THIOURACIL + Water
• 2-Propanol + 6-PROPYL-2-THIOURACIL + Water
• 6-PROPYL-2-THIOURACIL + Water
• 6-PROPYL-2-THIOURACIL + Methyl Alcohol
• 6-PROPYL-2-THIOURACIL + Ethanol
• 1-Propanol + 6-PROPYL-2-THIOURACIL
• 2-Propanol + 6-PROPYL-2-THIOURACIL
• 6-PROPYL-2-THIOURACIL + Formamide, N,N-dimethyl- + Water
• 6-PROPYL-2-THIOURACIL + 2-Pyrrolidinone, 1-methyl- + Water
• 1,2-Ethanediol + 6-PROPYL-2-THIOURACIL + Water
• 6-PROPYL-2-THIOURACIL + Dimethyl Sulfoxide + Water
• 6-PROPYL-2-THIOURACIL + Formamide, N,N-dimethyl-
• 6-PROPYL-2-THIOURACIL + 2-Pyrrolidinone, 1-methyl-
• 1,2-Ethanediol + 6-PROPYL-2-THIOURACIL
• 6-PROPYL-2-THIOURACIL + Dimethyl Sulfoxide

Sources

• 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
• Solubility modelling and thermodynamic aspect of 2,3-dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone in binary aqueous solutions of several alcohols
• Thermochemistry of 6-propyl-2-thiouracil: an experimental and computational study.
• Propylthiouracil Solubility in Aqueous Solutions of Ethylene Glycol, N,N-Dimethylformamide, N-Methyl-2-pyrrolidone, and Dimethylsulfoxide: Measurement and Thermodynamic Modeling
• Aqueous Solubility Prediction 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.