51276-91-6
4-(ETHYLTHIO)-4'-FORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
Name4-(ETHYLTHIO)-4'-FORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
FormulaC15 H19 N3 O2 S . 2 Cl
1Identification
【Name】
4-(ETHYLTHIO)-4'-FORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
【CAS】
【MDL】
MFCD01691156
【English Synonyms】
【Formula】
C15 H19 N3 O2 S . 2 Cl
【MolWeight】
376.306
【Inchi】
InChI=1S/C15H18N3O2S.2ClH/c1-2-21-15-5-9-18(10-6-15)13-20-12-17-7-3-14(4-8-17)11-16-19;;/h3-11H,2,12-13H2,1H3;2*1H/q+1;;/p-1
【InChIKey】
InChIKey=KRHSDTGFEPBZFJ-UHFFFAOYSA-M
【SMILES】
CCSc1cc[n+](cc1)COC[n+]2ccc(cc2)/C=N/O.[Cl-].[Cl-]
【MOL File】
4-(ETHYLTHIO)-4'-FOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(ETHYLTHIO)-4'-FORMYL-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME.cml