894187-61-2

Name STF-118804
CAS 894187-61-2
Molecular Formula C25H23N3O4S
MDL Number MFCD14918065
Molecular Weight 461.53
MOL File 894187-61-2.mol
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Chemical Properties

Melting point  187-190°C
density  1.281±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 13.00±0.46(Predicted)
color  White to Off-White
InChI 1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKey DLFCEZOMHBPDGI-UHFFFAOYSA-N
SMILES O=C(C1=CC=C(C2=NC(CS(=O)(C3=CC=C(C)C=C3)=O)=C(C)O2)C=C1)NCC4=CN=CC=C4

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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