Thiotriazinone Structure

Thiotriazinone

Chemical Properties

Melting point 168-171 °C (lit.)
Density  1.62±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO (Sparingly), Methanol (Slightly)
form  Solid
pka 5.34±0.20(Predicted)
color  White to Off-White
InChI InChI=1S/C4H5N3O2S/c1-7-4(10)5-2(8)3(9)6-7/h1H3,(H,6,9)(H,5,8,10)
InChIKey UMWWHOXOVPIGFD-UHFFFAOYSA-N
SMILES N1C(=O)C(=O)NC(=S)N1C
CAS DataBase Reference 58909-39-0(CAS DataBase Reference)
FDA UNII 679WF9Q9W1
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H319
Precautionary statements P305+P351+P338
Hazard Codes  Xi
Risk Statements  20/21/22-36
Safety Statements  36-26
WGK Germany  3
HS Code  29336990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
NFPA 704:
1
0 0

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Thiotriazinone Spectrum