403811-55-2

Name (Z,E)-5-(4-ETHYLBENZYLIDINE)-2-THIOXOTHIAZOLIDIN-4-ONE
CAS 403811-55-2
Molecular Formula C12H11NOS2
MDL Number MFCD09037546
Molecular Weight 249.36
MOL File 403811-55-2.mol

Chemical Properties

density  1.33±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >10mg/mL
form  Yellow solid
pka 7.72±0.30(Predicted)
color  yellow
Water Solubility  Soluble in DMSO. Soluble in water at concentrations less than 2mg/ml
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
InChI 1S/C12H11NOS2/c1-2-8-3-5-9(6-4-8)7-10-11(14)13-12(15)16-10/h3-7H,2H2,1H3,(H,13,14,15)/b10-7+
InChIKey SVXDHPADAXBMFB-JXMROGBWSA-N
SMILES CCc1ccc(cc1)\C=C2\SC(=S)NC2=O

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
HazardClass  IRRITANT
HS Code  2934100090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Sens. 1

Hazard Information

Supplier