MTS Reagent - CAS 138169-43-4
Catalog:
BB054378
Product Name:
MTS Reagent
CAS:
138169-43-4
Synonyms:
3-MTS; Methyl cellulose; 3-(4,5-Dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium
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BB054378
250 mg
$298
In stock
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BB054378
1 g
$523
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IUPAC Name: 4-[5-[3-(carboxymethoxy)phenyl]-3-(4,5-dimethyl-1,3-thiazol-2-yl)tetrazol-3-ium-2-yl]benzenesulfonate
Molecular Weight: 487.51
Molecular Formula: C20H17N5O6S2
Canonical SMILES: CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC(=CC=C4)OCC(=O)O)C
InChI: InChI=1S/C20H17N5O6S2/c1-12-13(2)32-20(21-12)25-23-19(14-4-3-5-16(10-14)31-11-18(26)27)22-24(25)15-6-8-17(9-7-15)33(28,29)30/h3-10H,11H2,1-2H3,(H-,26,27,28,29,30)
InChI Key: APRZHQXAAWPYHS-UHFFFAOYSA-N
Purity: 95%
Appearance: Yellow Solid
Complexity: 777
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 487.06202563
Formal Charge: 0
Heavy Atom Count: 33
Hydrogen Bond Acceptor Count: 10
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 487.06202563
Rotatable Bond Count: 6
Topological Polar Surface Area: 188
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.8
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