366821-62-7
S-(1-OXO-2-PYRIDYL)THIO-1,3-DIMETHYLPROPYLENEURONIUM HEXAFLUOROPHOSPHATE
NameS-(1-OXO-2-PYRIDYL)THIO-1,3-DIMETHYLPROPYLENEURONIUM HEXAFLUOROPHOSPHATE
FormulaC11 H16 N3 O S . F6 P
1Identification
【Name】
S-(1-OXO-2-PYRIDYL)THIO-1,3-DIMETHYLPROPYLENEURONIUM HEXAFLUOROPHOSPHATE
【CAS】
【MDL】
MFCD08274620
【English Synonyms】
【Formula】
C11 H16 N3 O S . F6 P
【MolWeight】
383.295
【Inchi】
InChI=1S/C11H16N3OS.F6P/c1-9-8-12(2)11(13(9)3)16-10-6-4-5-7-14(10)15;1-7(2,3,4,5)6/h4-7,9H,8H2,1-3H3;/q+1;-1
【InChIKey】
InChIKey=CFDJAMIPRYPAGC-UHFFFAOYSA-N
【SMILES】
CC1CN(C(=[N+]1C)Sc2cccc[n+]2[O-])C.F[P-](F)(F)(F)(F)F
【MOL File】
S-(1-OXO-2-PYRIDYL)T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-(1-OXO-2-PYRIDYL)THIO-1,3-DIMETHYLPROPYLENEURONIUM HEXAFLUOROPHOSPHATE.cml