99449-18-0 Purity
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Specification
The molecular formula is C16H37NReS4.
The molecular weight is 557.9 g/mol.
The IUPAC name is sulfanide;tetrabutylazanium;tris(sulfanylidene)rhenium.
The InChI is InChI=1S/C16H36N.Re.H2S.3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h5-16H2,1-4H3;;1H2;;;/q+1;;;;;/p-1.
The InChIKey is UBABZYMKBWUUMS-UHFFFAOYSA-M.
The canonical SMILES is CCCC[N+](CCCC)(CCCC)CCCC.[SH-].S=[Re](=S)=S.
Tetrabutylammonium tetrathiorhenate(VII) has 1 hydrogen bond donor count.
Tetrabutylammonium tetrathiorhenate(VII) has 4 hydrogen bond acceptor counts.
The exact mass is 558.136637 g/mol.
Tetrabutylammonium tetrathiorhenate(VII) has 12 rotatable bond counts.