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61327-99-9 | 2-(2-Anilinovinyl)-3-MethylbenzothiazoliuM iodide
CAS No: 61327-99-9 Catalog No: AG00EJWP MDL No:MFCD03768837
Product Description
Catalog Number:
AG00EJWP
Chemical Name:
2-(2-Anilinovinyl)-3-MethylbenzothiazoliuM iodide
CAS Number:
61327-99-9
MDL Number:
MFCD03768837
IUPAC Name:
N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline;iodide
InChI:
InChI=1S/C16H14N2S.HI/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;/h2-12H,1H3;1H
InChI Key:
BNYMEXHZDBZCOC-UHFFFAOYSA-N
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
394g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.274g/mol
Monoisotopic Mass:
394g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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