3,3'-Dipropylthiadicarbocyanine iodide - ≥98% , CAS No.53213-94-8

CAS: 53213-94-8 Cat. No.: D131515 Molecular Weight: 546.53 EC Number: 621-258-6 PubChem CID: 5706741

GRADE & PURITY ≥98%

Synonyms

DiSC3(5) | AKOS016010215 | HY-D0085 | 3-propyl-2-[(1E,3E)-5-[(2Z)-3-propyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]penta-1,3-dien-1-yl]-1,3-benzothiazol-3-ium iodide | EN300-21687611

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

3,3'-Dipropylthiadicarbocyanine iodide is applied for transmembrane potential measurements.
Usually used as a fluorogenic probe to detect and measure changes in transmembrane potential or configuration induced by membrane altering agents.

Specifications

Synonyms

DiSC3(5) | AKOS016010215 | HY-D0085 | 3-propyl-2-[(1E, 3E)-5-[(2Z)-3-propyl-2, 3-dihydro-1, 3-benzothiazol-2-ylidene]penta-1, 3-dien-1-yl]-1, 3-benzothiazol-3-ium iodide | EN300-21687611

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Fluorogenic probe used to detect and measure changes in transmembrane potential or configuration induced by membrane altering agents.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528757796
• Canonical Smiles: CCCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CCC.[I-]
• IUPAC Name: (2E)-3-propyl-2-[(2E,4E)-5-(3-propyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzothiazole;iodide
• InChIKey: GDEURKKLNUGTDA-UHFFFAOYSA-M
• INCHI: 1S/C25H27N2S2.HI/c1-3-18-26-20-12-8-10-14-22(20)28-24(26)16-6-5-7-17-25-27(19-4-2)21-13-9-11-15-23(21)29-25;/h5-17H,3-4,18-19H2,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CCCN\1C2=CC=CC=C2S/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4S3)CCC.[I-]
• WGK Germany: 3
• PubChem CID: 5706741
• Molecular Weight: 546.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic iodide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in DMF,methanol
• Sensitivity: Light sensitive.
• Melt Point(°C): 245 °C(dec.)
• Molecular Weight: 546.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 546.066 Da
• Monoisotopic Mass: 546.066 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 564.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 2

XLogP3

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