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Chemical Properties

CAS Registry Number: 51-52-5

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • 6-Propyl-2-thiouracil
  • PTU
  • Propycil
  • Propylthiouracil
  • Propylthiouracil (PTU)

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 51-52-5 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 2,3-Dihydro-6-propyl-2-thioxo-4(1H)-pyrimidinone
  • 2-Mercapto-4-hydroxy-6-n-propylpyrimidine
  • 2-Mercapto-6-propyl-4-pyrimidone
  • 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-Propyl-2-thiouracil
  • 6-Propil-tiouracile [Italian]
  • 6-Propyl-2-thio-2,4(1H,3H)pyrimidinedione
  • 6-Propyl-2-thiouracil
  • 6-Propylthiouracil
  • 6-Thio-4-propyluracil
  • 6-n-Propyl-2-thiouracil
  • 6-n-Propylthiouracil
  • HSDB 3390
  • PTU
  • PTU (thyreostatic)
  • Procasil
  • Propacil
  • Propilthiouracil
  • Propycil
  • Propyl-thiorist
  • Propyl-thiorit
  • Propyl-thyracil
  • Propylthiouracil
  • Propythiouracil
  • Prothiucil
  • Prothiurone
  • Prothycil
  • Prothyran
  • Protiural
  • Thiuragyl
  • Thyreostat II
  • Uracil, 6-propyl-2-thio-

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Other Registry Numbers2

  • 500-50-5

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Chemical Properties3

Property Description
Boiling Point
  • None Found
Color/Form
  • White crystalline powder of starch-like appearance to eye and to touch
Corrosivity
  • None Found
Critical Temperature & Pressure
  • None Found
Density/Specific Gravity
  • None Found
Dissociation Constants
  • None Found
Heat Of Combustion
  • None Found
Heat Of Vaporization
  • None Found
Melting Point
  • 219-221 deg C
Molecular Weight
  • 170.24
Odor
  • None Found
Other Chemical/Physical Properties
  • Henry's Law constant = 1.1X10-9 atm-cu m/mol at 25 deg C (est)
  • Hydroxyl radical reaction rate constant = 8.9X10-11 cu cm/molec-sec at 25 deg C (est)
  • Sensitive to light
Relative Evaporation Rate
  • None Found
Solubilities
  • 1 part dissolves in about 900 parts water at 20 deg C, in 100 parts boiling water, in 60 parts ethyl alc, in 60 parts acetone; practically insol in ether, chloroform, benzene; freely sol in aq soln of ammonia and alkali hydroxides
  • In water, 1204 mg/L at 25 deg C
Spectral Properties
  • INDEX OF REFRACTION: 1.5795 @ 25 DEG C/D
  • IR: 1591 (Sadtler Research Laboratories IR Grating Collection)
  • MASS: 52528 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 241 (National Bureau of Standards)
  • Max absorption (methanol): 214 nm (log epsilon= 4.193); 275 nm (log epsilon= 4.199); (methanol-KOH): 207.5 nm (log epsilon= 4.188); 260 nm (log epsilon= 4.029); 315.5 nm (log epsilon= 4.037)
  • NMR: 8367 (Sadtler Research Laboratories Spectral Collection)
  • SADTLER REF NUMBER: 25719 (IR, PRISM)
  • UV: 9305 (Sadtler Research Laboratories Spectral Collection)
Surface Tension
  • None Found
Taste
  • Bitter
Vapor Density
  • None Found
Vapor Pressure
  • 6.9X10-8 mm Hg at 25 deg C (est)
Viscosity
  • None Found
log P (octanol-water)
  • log Kow = 0.98 (est)
pH
  • Saturated aq soln is neutral or slightly acid to litmus

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Uses3

  • MEDICATION (VET) **PEER REVIEWED**
  • MEDICATION **PEER REVIEWED**
  • Medication, thyroid inhibitor **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • A thiourea antithyroid agent. Propythiouracil inhibits the synthesis of thyroxine and inhibits the peripheral conversion of throxine to tri-iodothyronine. It is used in the treatment of hyperthyroidism. (From Martindale, The Extra Pharmacopeoia, 30th ed, p534)

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Superlist Classes2

  • Overall Carcinogenic Evaluation: Group 2B
  • Reasonably Anticipated to be a Carcinogen

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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