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Thiazolyl Blue

CAT: 0024-sc-359848ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-359848ASize:5 g
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CAS Number
298-93-1

Chemical Information

(3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)

3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide is the bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium. It has a role as a dye and a colorimetric reagent. It contains a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.

CAS Number298-93-1
PubChem CID64965
IUPAC Name2-(3,5-diphenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole bromide
Molecular FormulaC18H16BrN5S
Molecular Weight414.3
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity410
SMILES
CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
InChI
InChI=1S/C18H16N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey
AZKSAVLVSZKNRD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide)
CAS: 298-93-1
CID: 64965
Formula: C18H16BrN5S
MW: 414.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass413.03098
Monoisotopic Mass413.03098
Topological Polar Surface Area75.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity410
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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