Cadmium ionophore I - ≥97% , CAS No.73487-00-0

CAS: 73487-00-0 Cat. No.: C346795 Molecular Weight: 432.73

GRADE & PURITY ≥97%

Synonyms

ETH 1062 | N,N,N',N'-tetrabutyl-3,6-dioxaoctan-dithioamid | AS-57248 | Cadmium ionophore I, Selectophore(TM) | D95985 | CADMIUMIONOPHOREI | 2,2'-(ethane-1,2-diylbis(oxy))bis(N,N-dibutylethanethioamide) | FT-0750294 | N,N,N',N'-Tetrabutyl-3,6-dioxaoctanedi

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Cadmium ionophore I is a selective ionophore for cadmium which is used in solvent polymeric membranes.

Specifications

Synonyms

ETH 1062 | N, N, N', N'-tetrabutyl-3, 6-dioxaoctan-dithioamid | AS-57248 | Cadmium ionophore I, Selectophore(TM) | D95985 | CADMIUMIONOPHOREI | 2, 2'-(ethane-1, 2-diylbis(oxy))bis(N, N-dibutylethanethioamide) | FT-0750294 | N, N, N', N'-Tetrabutyl-3, 6-dioxaoctanedi

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504759549
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759549
• Canonical Smiles: CCCCN(CCCC)C(=S)COCCOCC(=S)N(CCCC)CCCC
• IUPAC Name: N,N-dibutyl-2-[2-[2-(dibutylamino)-2-sulfanylideneethoxy]ethoxy]ethanethioamide
• InChIKey: NKWPVGBRWCCVGT-UHFFFAOYSA-N
• INCHI: 1S/C22H44N2O2S2/c1-5-9-13-23(14-10-6-2)21(27)19-25-17-18-26-20-22(28)24(15-11-7-3)16-12-8-4/h5-20H2,1-4H3
• Isomeric SMILES: CCCCN(CCCC)C(=S)COCCOCC(=S)N(CCCC)CCCC
• Molecular Weight: 432.73
• Reaxy-Rn: 4521607
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4521607&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioamides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioamides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thioamides
• Alternative Parents: Thiocarboxylic acid amides Dialkyl ethers Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thioamide - Thiocarboxylic acid amide - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thioamides. These are organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups.
• 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

• Sensitivity: Air sensitive
• Melt Point(°C): 34-36° C
• Molecular Weight: 432.700 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 19
• Exact Mass: 432.284 Da
• Monoisotopic Mass: 432.284 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yichi Zhang, Junsheng Wang, Yuezhu Wang, Xiaotong Xu, Bingchen Liang, Qing Yu, Yinchun Li, Chenyang Wang, Xiaoming Xue.  (2025)  Application of multi-variable calibration model of electrochemical sensor in high-accuracy long-term monitoring of cadmium ions.  ANALYTICA CHIMICA ACTA,      [PMID:40221208] [10.1016/j.aca.2025.343970]