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2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium

2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium structure

CAS No:
90832-31-8
Formula:
C22H25N2S+
Chemical Name:
2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium
Synonyms:
2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium;2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium iodide;DABPB;DTXSID60238302;N,N-dimethyl-4-[4-(3-propyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]aniline;Benzothiazolium, 2-(4-(4-(dimethylamino)phenyl)-1,3-butadienyl)-3-propyl-, (6R-(6alpha,7beta(Z)))-

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2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium Basic Attributes

Molecular Weight：

349.516

Exact Mass：

349.174

DSSTox ID：

DTXSID60238302

Characteristics

PSA：

35.4

XLogP3：

6.4

Drug Information

MeSH Entry Terms：

2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium

Computed Properties

Molecular Weight:349.5
XLogP3:6.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:349.17384498
Monoisotopic Mass:349.17384498
Topological Polar Surface Area:35.4
Heavy Atom Count:25
Formal Charge:1
Complexity:451
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium

Basic Attributes
Characteristics
Drug Information
Computed Properties

2-(4-(4-N,N-dimethylanilinyl)-1,3-butadienyl)-3-propyl-benzothiazolium

SDS

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