174198-16-4
2,9-DIMORPHOLINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE
Name2,9-DIMORPHOLINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE
1Identification
【Name】
2,9-DIMORPHOLINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE
【CAS】
【MDL】
MFCD01755000
【English Synonyms】
【Formula】
C20 H34 N2 O3 S
【MolWeight】
382.566
【Inchi】
InChI=1S/C20H34N2O3S/c23-26-19-7-8-20(26)18(22-11-15-25-16-12-22)6-4-2-1-3-5-17(19)21-9-13-24-14-10-21/h1-2,17-20H,3-16H2/b2-1-/t17?,18?,19-,20+,26?
【InChIKey】
InChIKey=OREAGBASRSWWGD-HZYCFRJLSA-N
【SMILES】
C/1CC([C@@H]2CC[C@@H](S2=O)C(CC/C=C1)N3CCOCC3)N4CCOCC4
【MOL File】
2,9-DIMORPHOLINO-13-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,9-DIMORPHOLINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE.cml