2-Phenylethanethioamide Structure

2-Phenylethanethioamide

Chemical Properties

Melting point 96-98°C
Boiling point 277.3±33.0℃ (760 Torr)
Density  1.155±0.06 g/cm3 (20 ºC 760 Torr)
Flash point 121.5±25.4℃
storage temp.  Storage temp. 2-8°C
pka 13.10±0.29(Predicted)
form  powder to crystal
color  White to Orange to Green
Water Solubility  Slightly Soluble in water (1.8 g/L) (25°C).
InChI InChI=1S/C8H9NS/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey CJXBHFANXQMZBF-UHFFFAOYSA-N
SMILES C1(CC(N)=S)=CC=CC=C1
FDA UNII LLS5738GKL

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordWarning
Hazard statements H301-H315-H319-H335
Precautionary statements P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
HazardClass  IRRITANT
HS Code  2924190090
NFPA 704:
1
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