Chemical Properties of 2-Thiouracil (CAS 141-90-2)

2-Thiouracil

InChI
InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChI Key
ZEMGGZBWXRYJHK-UHFFFAOYSA-N
Formula
C4H4N2OS
SMILES
O=c1cc[nH]c(=S)[nH]1
Molecular Weight1
128.15
CAS
141-90-2
Other Names
  • 2,3-Dihydro-2-thioxo-4(1H)-pyrimidinone
  • 2-Mercapto-4-hydroxypyrimidine
  • 2-Mercapto-4-pyrimidinol
  • 2-Mercapto-4-pyrimidone
  • 2-Mercaptopyrimid-4-one
  • 2-TU
  • 2-Thio-1,3-pyrimidin-4-one
  • 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-
  • 4-Hydroxy-2-mercaptopyrimidine
  • 4-Hydroxy-2-pyrimidinethiol
  • 4-Pyrimidinol, 2-mercapto-
  • 6-Hydroxy-2-mercaptopyrimidine
  • 6-Thiouracil
  • Antagothyroid
  • Antagothyroil
  • Deracil
  • NSC 19473
  • Nobilen
  • TU
  • Thiouracil
  • Uracil, 2-thio-
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Physical Properties

Property Value Unit Source
ΔfH°gas -40.11 kJ/mol Relay (1.0) Calculated Property
IE 8.80 eV NIST
log10WS -2.26 Aq. Solubility Prediction
logPoct/wat -0.531 Crippen Calculated Property
McVol 85.640 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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
Psub [1.23e-04; 8.40e-04] kPa [421.15; 443.26] Show Hide
Psub 1.23e-04 kPa 421.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.24e-04 kPa 421.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.32e-04 kPa 421.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.55e-04 kPa 423.21 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.55e-04 kPa 423.21 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.47e-04 kPa 423.21 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.78e-04 kPa 425.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.83e-04 kPa 425.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 1.89e-04 kPa 425.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.09e-04 kPa 427.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.22e-04 kPa 427.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.13e-04 kPa 427.15 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.49e-04 kPa 429.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.57e-04 kPa 429.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.61e-04 kPa 429.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 2.98e-04 kPa 431.23 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 3.04e-04 kPa 431.23 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 3.06e-04 kPa 431.23 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 3.65e-04 kPa 433.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 3.58e-04 kPa 433.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 3.80e-04 kPa 433.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 4.42e-04 kPa 435.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 4.18e-04 kPa 435.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 4.41e-04 kPa 435.20 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 5.33e-04 kPa 437.24 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 5.21e-04 kPa 437.24 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 5.02e-04 kPa 437.24 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 6.22e-04 kPa 439.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 5.91e-04 kPa 439.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 5.68e-04 kPa 439.16 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 6.93e-04 kPa 441.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 7.06e-04 kPa 441.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 6.72e-04 kPa 441.22 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 8.34e-04 kPa 443.26 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 8.40e-04 kPa 443.26 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil
Psub 8.04e-04 kPa 443.26 Experimental study on the thermochemistry of 2-thiouracil, 5-methyl-2-thiouracil and 6-methyl-2-thiouracil

Similar Compounds

Uracil. 5-METHYL-2-THIOXO-2,3-DIHYDRO-4(1H)-PYRIMIDINONE. 2,4(1H,3H)-PYRIMIDINEDITHIONE. 4(1H)-Pyrimidinone. 3H-pyrimidin-4-one. 4-AMINO-6-HYDROXY-2-MERCAPTOPYRIMIDINE MONOHYDRATE. 6-PROPYL-2-THIOURACIL. Uracil, 1-methyl-. 2,4(1H,3H)-Pyrimidinedione, 5-methyl-. 5-CHLOROURACIL. 5-Iodouracil. 2,4(1H,3H)-Pyrimidinedione, 5-nitro-. 2,4(1H,3H)-Pyrimidinedione, 5-(trifluoromethyl)-. 2,4(1H,3H)-Pyrimidinedione, 5-bromo-. 7-Amino-S-triazolo(1,5-a)pyrimidin-5(4H)-one.

Find more compounds similar to 2-Thiouracil.

Sources

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