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-
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 0.4402 Relay (1.0) Calculated Property
ΔfG° 12.35 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -40.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 128.54 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
Pc 5996.20 kPa Relay (1.0-beta) Calculated Property
Tboil 585.32 K Relay (1.0) Calculated Property
Tc 823.36 K Relay (1.0) Calculated Property
Tfus 458.97 K Relay (1.0) Calculated Property
Vc 0.276 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Uracil. 4(1H)-Pyrimidinone, 2,3-dihydro-5-methyl-2-thioxo-. 4(1H)-Pyrimidinone. 3H-pyrimidin-4-one. 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-. Propylthiouracil. Uracil, 1-methyl-. Thymine. 2,4(1H,3H)-Pyrimidinedione, 5-chloro-. 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. Imidazolo[1,2-a]pyrimidine-2,5(1H,3H)-dione, 3,7-dimethyl-.

Find more compounds similar to 2-Thiouracil.

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.