1802013-08-6

Name ITH 12575
CAS 1802013-08-6
Molecular Formula C18H18ClNOS
MDL Number MFCD30720887
Molecular Weight 331.86
MOL File 1802013-08-6.mol
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Chemical Properties

Boiling point  484.5±45.0 °C(Predicted)
density  1.219±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  Soluble in DMSO
form  Solid
pka 12.34±0.40(Predicted)
color  White to off-white
InChI 1S/C18H18ClNOS/c1-11(2)13-5-3-4-6-14(13)18-15-9-12(19)7-8-16(15)20-17(21)10-22-18/h3-9,11,18H,10H2,1-2H3,(H,20,21)
InChIKey RDMUJSJZBYAAEF-UHFFFAOYSA-N
SMILES CC(C)C1=C(C2C(C=C(Cl)C=C3)=C3NC(CS2)=O)C=CC=C1

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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