24456-60-8
3,4-DIHYDRO-6,7-DIMETHOXY-1-(METHYLTHIO)-ISOQUINOLINE
Name3,4-DIHYDRO-6,7-DIMETHOXY-1-(METHYLTHIO)-ISOQUINOLINE
1Identification
【Name】
3,4-DIHYDRO-6,7-DIMETHOXY-1-(METHYLTHIO)-ISOQUINOLINE
【CAS】
【MDL】
MFCD17015675
【English Synonyms】
【Formula】
C12 H15 N O2 S
【MolWeight】
237.322
【Inchi】
InChI=1S/C12H15NO2S/c1-14-10-6-8-4-5-13-12(16-3)9(8)7-11(10)15-2/h6-7H,4-5H2,1-3H3
【InChIKey】
InChIKey=LCSXOYGFJQKCFI-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)C(=NCC2)SC
【MOL File】
3,4-DIHYDRO-6,7-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-DIHYDRO-6,7-DIMETHOXY-1-(METHYLTHIO)-ISOQUINOLINE.cml