Chemical Properties of 4-Thiouracil (CAS 591-28-6)

4-Thiouracil

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InChI
InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChI Key
OVONXEQGWXGFJD-UHFFFAOYSA-N
Formula
C4H4N2OS
SMILES
Oc1nccc(S)n1
Molecular Weight1
128.15
CAS
591-28-6
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Physical Properties

Property Value Unit Source
ω 0.5445 Relay (... Calculated Property
EA 1.05 ± 0.10 eV NIST
Δf 92.36 kJ/mol Relay (... Calculated Property ⚠️
Δfgas -88.03 kJ/mol Relay (... Calculated Property
Δvap 118.21 kJ/mol Relay (... Calculated Property
IE 8.86 eV Relay (... Calculated Property
log10WS -1.70 Relay (... Calculated Property
logPoct/wat 0.471 Crippen Calculated Property
McVol 85.640 ml/mol McGowan Calculated Property
Pc 6584.84 kPa Relay (... Calculated Property ⚠️
Tboil 532.36 K Relay (... Calculated Property
Tc 826.00 K Relay (... Calculated Property
Tfus 481.63 K Relay (... Calculated Property
Vc 0.277 m3/kmol Relay (... Calculated Property

Similar Compounds

2,4(1H,3H)-Pyrimidinedithione. 2(1H)-Pyrimidinone. 2,4-Dimethoxypyrimidine. Pyrimidine, 2-methoxy-. Pyrimidine, 2,4-bis[(trimethylsilyl)oxy]-. Pyrimidine, 2-hydroxy, TMS. 5-Mercaptouracil, TMS. 2,4-Bis(tert-butyldimethylsilyloxy)pyrimidine. Pyrimidine, 2-mercapto-4-hydroxy, TMS. Cytosine, tert-butyldimethylsilyl ether. Pyrimidine, 2-hydroxy-4-imino-3-methyl, TMS. Cytosine, trimethylsilyl ether. N-Acetyl norlittorine. 4-Neopentyloxypyrimidine-2-thiol. Val-Val, N-trimethylsilyl-, trimethylsilyl ester.

Find more compounds similar to 4-Thiouracil.

Sources

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