28024-33-1
1,2,3,6-TETRAHYDRO-4-PHENYL-1-(3-(PHENYLSULFINYL)PROPYL)PYRIDINE OXALATE
Name1,2,3,6-TETRAHYDRO-4-PHENYL-1-(3-(PHENYLSULFINYL)PROPYL)PYRIDINE OXALATE
FormulaC20 H23 N O S . C2 H2 O4
1Identification
【Name】
1,2,3,6-TETRAHYDRO-4-PHENYL-1-(3-(PHENYLSULFINYL)PROPYL)PYRIDINE OXALATE
【CAS】
【MDL】
MFCD01691452
【English Synonyms】
【Formula】
C20 H23 N O S . C2 H2 O4
【MolWeight】
415.508
【Inchi】
InChI=1S/C20H23NOS.C2H2O4/c22-23(20-10-5-2-6-11-20)17-7-14-21-15-12-19(13-16-21)18-8-3-1-4-9-18;3-1(4)2(5)6/h1-6,8-12H,7,13-17H2;(H,3,4)(H,5,6)
【InChIKey】
InChIKey=RHLJXCKISFAKIY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2=CCN(CC2)CCCS(=O)c3ccccc3.C(=O)(C(=O)O)O
【MOL File】
1,2,3,6-TETRAHYDRO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,6-TETRAHYDRO-4-PHENYL-1-(3-(PHENYLSULFINYL)PROPYL)PYRIDINE OXALATE.cml