4-Thiouracil Structure

4-Thiouracil

Chemical Properties

Melting point 295 °C (dec.) (lit.)
Density  1.368 (estimate)
refractive index  1.7000 (estimate)
storage temp.  Store at -20°C
solubility  1 M NaOH: soluble50mg/mL
form  Powder
pka 5.38±0.20(Predicted)
color  Yellow
InChI InChI=1S/C4H4N2OS/c7-4-5-2-1-3(8)6-4/h1-2H,(H2,5,6,7,8)
InChIKey OVONXEQGWXGFJD-UHFFFAOYSA-N
SMILES C1(=O)NC=CC(=S)N1
CAS DataBase Reference 591-28-6(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302+H312+H332
Precautionary statements P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Hazard Codes  Xn
Risk Statements  20/21/22
Safety Statements  36
WGK Germany  3
HS Code  29335990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
1
2 0

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4-Thiouracil Spectrum