 Home > Encyclopedia > 2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride

2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride

2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride structure

CAS No:
401813-29-4
Formula:
C25H24ClN3O3S3
Chemical Name:
2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride
Synonyms:
UNII-FDK4QJ64TS;FDK4QJ64TS;Thioflavin S2;UNII-S5W72JX4E0 component VNVDHTWVCQCPLI-UHFFFAOYSA-M;2,6'-Bibenzothiazolium, 2'-(4-(dimethylamino)phenyl)-3,3',6-trimethyl-7-sulfo-, inner salt, chloride;401813-29-4

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2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride Basic Attributes

Molecular Weight：

546.1 g/mol

Exact Mass：

545.0668329 g/mol

UNII：

FDK4QJ64TS

Characteristics

PSA：

133 Å²

Computed Properties

Molecular Weight:546.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:545.0668329
Monoisotopic Mass:545.0668329
Topological Polar Surface Area:133
Heavy Atom Count:35
Complexity:816
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[2-[4-(dimethylamino)phenyl]-3-methyl-1,3-benzothiazol-3-ium-6-yl]-3,6-dimethyl-1,3-benzothiazol-3-ium-7-sulfonate;chloride

Basic Attributes
Characteristics
Computed Properties

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