ATTO Thio12

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ATTO Thio12

ATTO Thio12

Catelog Number F10-0165
Category ATTO
Molecular Formula C29H32ClN3O7S
Molecular Weight 602.1
Catalog Number Size Price Quantity
F10-0165 -- $--

Chemical Information

IUPAC Name [9-[2-[3-carboxypropyl(methyl)carbamoyl]phenyl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium;perchlorate
Canonical SMILES CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=CC=C4C(=O)N(C)CCCC(=O)O.[O-]Cl(=O)(=O)=O
InChI InChI=1S/C29H31N3O3S.ClHO4/c1-30(2)19-12-14-23-25(17-19)36-26-18-20(31(3)4)13-15-24(26)28(23)21-9-6-7-10-22(21)29(35)32(5)16-8-11-27(33)34;2-1(3,4)5/h6-7,9-10,12-15,17-18H,8,11,16H2,1-5H3;(H,2,3,4,5)
InChI Key CNHBWUJLSIHMSI-UHFFFAOYSA-N
NACRES NA.32

Product Specification

Application ATTO Thio12 is a new label closely related to the well-known rhodamines for coupling to biomolecules such as DNA, RNA or proteins. The characteristic feature of the label is high yield of triplet formation. The dye is moderately hydrophilic.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 7
Exact Mass 601.1649492 g/mol
Monoisotopic Mass 601.1649492 g/mol
Topological Polar Surface Area 163Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 1040
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
EP-2954934-A1 Conjugate comprising a neurotensin receptor ligand and use thereof 2014-06-11
CA-2949936-A1 Conjugate comprising a neurotensin receptor ligand and use thereof 2014-06-10
EP-2954933-A1 Conjugate comprising a neurotensin receptor ligand 2014-06-10
US-2017119913-A1 Conjugate comprising a neurotensin receptor ligand and use thereof 2014-06-10
JP-2020097586-A Conjugates containing neurotensin receptor ligands and their use 2014-06-10
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