C25H25ClN2O4S2

3-ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole perchlorate

Also Known As: 1-benzhydryl-1,2,4-triazole|3,3-DIETHYLTHIATRICARBOCYANINE PERCHLORATE|3-Ethyl-2-(7-(3-ethylbenzo[d]thiazol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)benzo[d]thiazol-3-ium perchlorate|(2Z)-3-ethyl-2-[(2E,4E,6E)-7-(3-ethylbenzothiazol-2-yl)hepta-2,4,6-trienylidene]benzothiazole perchlorate|3-Ethyl-2-(7-(3-ethylbenzothiazol-2-ylidene)-1,3,5-heptatrienyl)benzothiazolium perchlorate|3-Ethyl-2-[7-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)hepta-2,4,6-trienylidene]-1,3-benzothiazole;perchlorate|benzothiazolium,3-ethyl-2-[7-(3-ethyl-2(3h)-benzothiazolylidene)-1,3,5-heptatr;3-ETHYL-2-((1E,3E,5E)-7-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1,3,5-HEPTATRIENYL)-1,3-BENZOTHIAZOL-3-IUM PERCHLORATE;3,3-DIETHYLTHIATRICARBOCYANINE PERCHLORATE;BENZOTHIAZOLI

Molecular Formula	C25H25ClN2O4S2
Molecular Weight	516.0944 g/mol
LogP	2.0519
Topological Polar Surface Area	99.36 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	516.0944
Monoisotopic Mass	516.0944
Heavy Atoms	34
Complexity	1223.1239

Chemical Identifiers

CAS Number	22268-66-2
SMILES	CCN1C2=CC=CC=C2SC1=CC=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[O-]Cl(=O)(=O)=O