54118-11-5
3-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
Name3-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
1Identification
【Name】
3-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
【CAS】
【MDL】
MFCD07433756
【English Synonyms】
【Formula】
C30 H29 N2 S2 . I
【MolWeight】
608.605
【Inchi】
InChI=1S/C30H29N2S2.HI/c1-3-31-25-14-7-8-15-26(25)33-28(31)19-21-10-9-11-22(18-21)20-29-32(4-2)30-24-13-6-5-12-23(24)16-17-27(30)34-29;/h5-8,12-20H,3-4,9-11H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=FRBHYXXIGUAHCD-UHFFFAOYSA-M
【SMILES】
CC[n+]1c2ccccc2sc1/C=C/3\CCCC(=C3)/C=C\4/N(c5c6ccccc6ccc5S4)CC.[I-]
【MOL File】
3-ETHYL-2-[(3-([1-ET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYL-2-[(3-([1-ETHYLNAPHTHO[1,2-D][1,3]THIAZOL-2(1H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE.cml