29529-51-9
3-HYDROXY-4-PIPERIDINOMETHYLTHIOXANTHONE HYDROCHLORIDE
Name3-HYDROXY-4-PIPERIDINOMETHYLTHIOXANTHONE HYDROCHLORIDE
FormulaC19 H19 N O2 S . Cl H
1Identification
【Name】
3-HYDROXY-4-PIPERIDINOMETHYLTHIOXANTHONE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01679809
【English Synonyms】
【Formula】
C19 H19 N O2 S . Cl H
【MolWeight】
361.891
【Inchi】
InChI=1S/C19H19NO2S.ClH/c21-16-9-8-14-18(22)13-6-2-3-7-17(13)23-19(14)15(16)12-20-10-4-1-5-11-20;/h2-3,6-9,21H,1,4-5,10-12H2;1H
【InChIKey】
InChIKey=VWALCWBFMOIMMU-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(=O)c3ccc(c(c3s2)CN4CCCCC4)O.Cl
【MOL File】
3-HYDROXY-4-PIPERIDI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-4-PIPERIDINOMETHYLTHIOXANTHONE HYDROCHLORIDE.cml