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Home > Encyclopedia > 2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE

2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE

2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE structure

2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE 

structure
  • CAS No:

    69415-12-9

  • Formula:

    C29H30ClIN2S2

  • Chemical Name:

    2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE

  • Synonyms:

    DTXSID50698330;AKOS000814172;2-(2-{2-Chloro-3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-5-methylcyclohex-1-en-1-yl}ethenyl)-3-ethyl-1,3-benzothiazol-3-ium iodide;2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE

2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE Basic Attributes

633.05

632.058

DTXSID50698330

Characteristics

60.7

4.87300

Computed Properties

Molecular Weight:633.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:632.05837
Monoisotopic Mass:632.05837
Topological Polar Surface Area:60.7
Heavy Atom Count:35
Complexity:798
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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