27918-56-5
4-FORMYL-4'-(METHYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
Name4-FORMYL-4'-(METHYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
FormulaC14 H17 N3 O2 S . 2 Cl
1Identification
【Name】
4-FORMYL-4'-(METHYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
【CAS】
【MDL】
MFCD01691110
【English Synonyms】
【Formula】
C14 H17 N3 O2 S . 2 Cl
【MolWeight】
362.279
【Inchi】
InChI=1S/C14H16N3O2S.2ClH/c1-20-14-4-8-17(9-5-14)12-19-11-16-6-2-13(3-7-16)10-15-18;;/h2-10H,11-12H2,1H3;2*1H/q+1;;/p-1
【InChIKey】
InChIKey=NSIXYHFLEVLWMF-UHFFFAOYSA-M
【SMILES】
CSc1cc[n+](cc1)COC[n+]2ccc(cc2)/C=N/O.[Cl-].[Cl-]
【MOL File】
4-FORMYL-4'-(METHYLT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-FORMYL-4'-(METHYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME.cml