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1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium

1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium structure

CAS No:
7444-81-7
Formula:
C28H36N2O3S
Chemical Name:
1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium
Synonyms:
UNII-S5LL54G1G9;LAURYL ISOQUINOLINIUM SACCHARINATE;S5LL54G1G9;Laurylisoquinolinium benzosulfimide;HQ-4300;HQ-4330;DTXSID40274586;Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1);Isoquinolinium, 2-dodecyl-, salt with 1,2-benzisothiazolin-3-one 1,1-dioxide (1:1);7444-81-7;Q27288682;2478-30-0

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1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium Basic Attributes

Molecular Weight：

480.7 g/mol

Exact Mass：

480.24466419 g/mol

UNII：

S5LL54G1G9

DSSTox ID：

DTXSID40274586

Characteristics

PSA：

81.8 Å²

Computed Properties

Molecular Weight:480.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:480.24466419
Monoisotopic Mass:480.24466419
Topological Polar Surface Area:81.8
Heavy Atom Count:34
Complexity:577
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1,1-dioxo-1,2-benzothiazol-3-olate;2-dodecylisoquinolin-2-ium

Basic Attributes
Characteristics
Computed Properties

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