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54118-16-0 | 3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS No: 54118-16-0 Catalog No: AG00DTI6 MDL No:
Product Description
Catalog Number:
AG00DTI6
Chemical Name:
3-ETHYL-2-[(3-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5-METHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
CAS Number:
54118-16-0
IUPAC Name:
(2Z)-3-ethyl-2-[[(3E)-3-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-5-methylcyclohexen-1-yl]methylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C27H29N2S2.HI/c1-4-28-22-10-6-8-12-24(22)30-26(28)17-20-14-19(3)15-21(16-20)18-27-29(5-2)23-11-7-9-13-25(23)31-27;/h6-13,16-19H,4-5,14-15H2,1-3H3;1H/q+1;/p-1
InChI Key:
FQDCJNDJNTVYEI-UHFFFAOYSA-M
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
572.082g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.567g/mol
Monoisotopic Mass:
572.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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