5591-22-0
1-([2-[ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO]ETHYL]AMINO)-4-METHYL-9H-THIOXANTHEN-9-ONE
Name1-([2-[ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO]ETHYL]AMINO)-4-METHYL-9H-THIOXANTHEN-9-ONE
1Identification
【Name】
1-([2-[ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO]ETHYL]AMINO)-4-METHYL-9H-THIOXANTHEN-9-ONE
【CAS】
【MDL】
MFCD00866730
【English Synonyms】
【Formula】
C22 H28 N2 O2 S
【MolWeight】
384.541
【Inchi】
InChI=1S/C22H28N2O2S/c1-5-24(14-22(3,4)26)13-12-23-17-11-10-15(2)21-19(17)20(25)16-8-6-7-9-18(16)27-21/h6-11,23,26H,5,12-14H2,1-4H3
【InChIKey】
InChIKey=ATQREMXMJIWUIN-UHFFFAOYSA-N
【SMILES】
CCN(CCNc1ccc(c2c1c(=O)c3ccccc3s2)C)CC(C)(C)O
【MOL File】
1-([2-[ETHYL(2-HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-([2-[ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO]ETHYL]AMINO)-4-METHYL-9H-THIOXANTHEN-9-ONE.cml