2-[4-(Dimethylamino)styryl]-3-methyl-3-benzothiazolium - CAS 16197-32-3

Name: 2-[4-(Dimethylamino)styryl]-3-methyl-3-benzothiazolium
Brand: BOC Sciences
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Catalog:	BB011807
Product Name:	2-[4-(Dimethylamino)styryl]-3-methyl-3-benzothiazolium
CAS:	16197-32-3
Synonyms:	N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline

Technical Data

IUPAC Name:	N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline
Description:	2-[4-(Dimethylamino)styryl]-3-methyl-3-benzothiazolium (CAS# 16197-32-3 ) is a useful research chemical.
Molecular Weight:	295.42
Molecular Formula:	C18H19N2S
Canonical SMILES:	C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C
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
LogP:	3.96220

Publication Number	Title	Priority Date
US-2013137112-A1	Dyes for analysis of protein aggregation	20091130
US-2016280921-A1	Dyes for analysis of protein aggregation	20091130
US-2018273759-A1	Dyes for analysis of protein aggregation	20091130
US-2021009809-A1	Dyes for analysis of protein aggregation	20091130
US-2006035926-A1	Benzothiazolium compounds	20040813

Complexity:	360
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.12689479
Formal Charge:	1
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	295.12689479
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	1
XLogP3:	4.9