3-ETHYL-2-((E)-2-[3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-(PHENYLSULFANYL)-1-CYCLOHEXEN-1-YL]ETHENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE

70446-12-7

MFCD07433774

C34 H33 N2 S3 . I

692.747

InChI=1S/C34H33N2S3.HI/c1-3-35-28-17-8-10-19-30(28)38-32(35)23-21-25-13-12-14-26(34(25)37-27-15-6-5-7-16-27)22-24-33-36(4-2)29-18-9-11-20-31(29)39-33;/h5-11,15-24H,3-4,12-14H2,1-2H3;1H/q+1;/p-1

InChIKey=YBUPBKKGZOVCQS-UHFFFAOYSA-M

CC[n+]1c2ccccc2sc1/C=C/C3=C(/C(=C/C=C\4/N(c5ccccc5S4)CC)/CCC3)Sc6ccccc6.[I-]

pro_donors:0

pro_acceptors:2

XLogP3:8.0

Bulk/Fine:F