2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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CAS No:
34719-10-3
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Formula:
C27H28IN3OS2
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Chemical Name:
2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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Synonyms:
DTXSID20698327;AKOS000814149;2-({5-Carbamoyl-3-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]cyclohex-2-en-1-ylidene}methyl)-3-ethyl-1,3-benzothiazol-3-ium iodide;2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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CAS No:
2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE Basic Attributes
601.57
601.07185 g/mol
DTXSID20698327
Computed Properties
Molecular Weight:601.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:601.07185
Monoisotopic Mass:601.07185
Topological Polar Surface Area:104
Heavy Atom Count:34
Complexity:779
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-[(5-(AMINOCARBONYL)-3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-2-CYCLOHEXEN-1-YLIDENE)METHYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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