131060-14-5
(E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE
Name(E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE
1Identification
【Name】
(E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE
【CAS】
【MDL】
MFCD00898838
【English Synonyms】
【Formula】
C27 H31 N O S2
【MolWeight】
449.68
【Inchi】
InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
【InChIKey】
InChIKey=KIRGLCXNEVICOG-SOFGYWHQSA-N
【SMILES】
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3
【MOL File】
(E)-3-[(3,3'-BITHIOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-3-[(3,3'-BITHIOPHEN)-5-YLMETHOXY]-N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-ETHYLBENZYLAMINE.cml