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Thiazole orange

CAT: 0926-FT168271-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FT168271-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107091-89-4
Smiles
CC1=CC=C (C=C1) S (=O) (=O) [O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+] (C4=CC=CC=C34) C
Molecular Formula
C26H24N2O3S2
Molecular Weight
476.61 g/mol
Controlled
No

Chemical Information

Thiazole Orange

Thiazole orange is a cyanine dye comprising the thiazole orange cation [1-methyl-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium] with the p-tosylate counterion. It has a role as a fluorochrome. It contains a thiazole orange cation.

CAS Number107091-89-4
PubChem CID6438345
IUPAC Name4-methylbenzenesulfonate;(2Z)-3-methyl-2-[(1-methylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole
Molecular FormulaC26H24N2O3S2
Molecular Weight476.6
Topological Polar Surface Area98
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity628
SMILES
CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)C
InChI
InChI=1S/C19H17N2S.C7H8O3S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
ACOJCCLIDPZYJC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Thiazole Orange
CAS: 107091-89-4
CID: 6438345
Formula: C26H24N2O3S2
MW: 476.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass476.12283498
Monoisotopic Mass476.12283498
Topological Polar Surface Area98 Ų
Heavy Atom Count33
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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