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16197-32-3 | Benzothiazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-
CAS No: 16197-32-3 Catalog No: AG001SK9 MDL No:
Product Description
Catalog Number:
AG001SK9
Chemical Name:
Benzothiazolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-
CAS Number:
16197-32-3
Molecular Formula:
C18H19N2S+
Molecular Weight:
295.4219
IUPAC Name:
N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline
InChI:
InChI=1S/C18H19N2S/c1-19(2)15-11-8-14(9-12-15)10-13-18-20(3)16-6-4-5-7-17(16)21-18/h4-13H,1-3H3/q+1
InChI Key:
VCZBIKURSGZDKK-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)C=Cc1sc2c([n+]1C)cccc2)C
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.127g/mol
Formal Charge:
1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.424g/mol
Monoisotopic Mass:
295.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Spectral-luminescent and photochemical characteristics of homodimers of the styrylcyanine dye Sbt in solutions. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015 |
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