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59652-06-1 | 3-ethyl-2-[3-(1-ethyl-1H-pyridin-2-ylidene)prop-1-enyl]benzothiazolium iodide
CAS No: 59652-06-1 Catalog No: AG00ETKP MDL No:
Product Description
Catalog Number:
AG00ETKP
Chemical Name:
3-ethyl-2-[3-(1-ethyl-1H-pyridin-2-ylidene)prop-1-enyl]benzothiazolium iodide
CAS Number:
59652-06-1
IUPAC Name:
(2Z)-3-ethyl-2-[(E)-3-(1-ethylpyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole;iodide
InChI:
InChI=1S/C19H21N2S.HI/c1-3-20-15-8-7-10-16(20)11-9-14-19-21(4-2)17-12-5-6-13-18(17)22-19;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChI Key:
PDTTYWVXGSRCOG-UHFFFAOYSA-M
EC Number:
261-841-9
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
436.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.355g/mol
Monoisotopic Mass:
436.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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