51545-19-8
4-FORMYL-4'-(ISOPROPYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
Name4-FORMYL-4'-(ISOPROPYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
FormulaC16 H21 N3 O2 S . 2 Cl
1Identification
【Name】
4-FORMYL-4'-(ISOPROPYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME
【CAS】
【MDL】
MFCD01691164
【English Synonyms】
【Formula】
C16 H21 N3 O2 S . 2 Cl
【MolWeight】
390.333
【Inchi】
InChI=1S/C16H20N3O2S.2ClH/c1-14(2)22-16-5-9-19(10-6-16)13-21-12-18-7-3-15(4-8-18)11-17-20;;/h3-11,14H,12-13H2,1-2H3;2*1H/q+1;;/p-1
【InChIKey】
InChIKey=YDVFVNAXDTYZDL-UHFFFAOYSA-M
【SMILES】
CC(C)Sc1cc[n+](cc1)COC[n+]2ccc(cc2)/C=N/O.[Cl-].[Cl-]
【MOL File】
4-FORMYL-4'-(ISOPROP….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-FORMYL-4'-(ISOPROPYLTHIO)-1,1'-(OXYDIMETHYLENE)DIPYRIDINIUM DICHLORIDE OXIME.cml