5615-07-6
9H-THIOXANTHEN-9-ONE, 6-CHLORO-1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-METHYL-, N-OXIDE
Name9H-THIOXANTHEN-9-ONE, 6-CHLORO-1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-METHYL-, N-OXIDE
FormulaC20 H23 Cl N2 O2 S
1Identification
【Name】
9H-THIOXANTHEN-9-ONE, 6-CHLORO-1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-METHYL-, N-OXIDE
【CAS】
【MDL】
MFCD01679820
【English Synonyms】
【Formula】
C20 H23 Cl N2 O2 S
【MolWeight】
390.933
【Inchi】
InChI=1S/C20H23ClN2O2S/c1-4-23(25,5-2)11-10-22-16-9-6-13(3)20-18(16)19(24)15-8-7-14(21)12-17(15)26-20/h6-9,12,22H,4-5,10-11H2,1-3H3
【InChIKey】
InChIKey=ZFSITKXPLVNUAX-UHFFFAOYSA-N
【SMILES】
CC[N+](CC)(CCNc1ccc(c2c1c(=O)c3ccc(cc3s2)Cl)C)[O-]
【MOL File】
9H-THIOXANTHEN-9-ONE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9H-THIOXANTHEN-9-ONE, 6-CHLORO-1-((2-(DIETHYLAMINO)ETHYL)AMINO)-4-METHYL-, N-OXIDE.cml