Copper(II) ionophore I

Base Information

• Chemical Name: Copper(II) ionophore I
• CAS No.: 125769-67-7
• Molecular Formula: C26H44N2S4
• Molecular Weight: 512.9
• DSSTox Substance ID: DTXSID30409087
• Nikkaji Number: J1.190.927B
• Mol file: 125769-67-7.mol

Synonyms:Copper(II) ionophore I;125769-67-7;[2-[bis(2-methylpropyl)carbamothioylsulfanylmethyl]phenyl]methyl N,N-bis(2-methylpropyl)carbamodithioate;Carbamodithioic acid, N,N-bis(2-methylpropyl)-, C,C'-[1,2-phenylenebis(methylene)] ester;o-XBDiBDTC;Copper(ii)ionophore i;SCHEMBL934657;DTXSID30409087;AKOS025294230;AT25393;Copper(II) ionophore I, Selectophore(TM);J-005291;1,2-phenylenebis(methylene) bis(diisobutylcarbamodithioate)

Chemical Property of Copper(II) ionophore I

Chemical Property:

• Vapor Pressure: 3.35E-13mmHg at 25°C
• Melting Point: 91-92 °C
• Boiling Point: 574.5°C at 760 mmHg
• Flash Point: 301.2°C
• PSA: 121.26000
• Density: 1.084g/cm³
• LogP: 7.95080
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 512.23873411
• Heavy Atom Count: 32
• Complexity: 480

Purity/Quality:

97% ^*data from raw suppliers

Copper(II) ionophore I Selectophore ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CN(CC(C)C)C(=S)SCC1=CC=CC=C1CSC(=S)N(CC(C)C)CC(C)C

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