bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)

C32H74N2ReS4 — CID 175741211

IUPACbis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.S=[Re]=S.[SH-].[SH-]
InChIInChI=1S/2C16H36N.Re.2H2S.2S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;2*1H2;;/q2*+1;;;;;/p-2
InChIKeyLRMFKRHWEYIVIO-UHFFFAOYSA-L
MW801.43 g/mol
LogP10.76
Rot. Bonds24

About bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)

bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium) (PubChem CID 175741211) has the molecular formula C32H74N2ReS4 and a molecular weight of 801.43 g/mol. Its IUPAC name is bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium).

Molecular Properties

Compound Namebis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)
PubChem CID175741211
Molecular FormulaC32H74N2ReS4
Molecular Weight801.43 g/mol
Exact Mass801.43
IUPAC Namebis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.S=[Re]=S.[SH-].[SH-]
InChIInChI=1S/2C16H36N.Re.2H2S.2S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;2*1H2;;/q2*+1;;;;;/p-2
InChIKeyLRMFKRHWEYIVIO-UHFFFAOYSA-L
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.43
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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butyl(tripentyl)azanium
CID 14022644
tributyl(triacontyl)azanium
CID 153322884
dibutyl(diheptyl)azanium
CID 87534229
hydron;tetrabutylazanium;diiodide
CID 173281455
tetrabutylazanium;chloride;hydrobromide
CID 160850218
bis(palladium(2+));bis(tetrabutylazanium);hexachloride
CID 51000427
potassium;tetrabutylazanium;diiodide
CID 144841578
phosphane;tetrabutylazanium;fluoride
CID 174703499
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CID 25141921

Frequently Asked Questions

What is the IUPAC name of bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)?
The IUPAC name of bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium) (CID 175741211) is bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium).
What is the SMILES notation for bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)?
The canonical SMILES for bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium) is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.S=[Re]=S.[SH-].[SH-].
What is the InChIKey of bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)?
The InChIKey is LRMFKRHWEYIVIO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H36N.Re.2H2S.2S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;;/h2*5-16H2,1-4H3;;2*1H2;;/q2*+1;;;;;/p-2.
What are the key properties of bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium)?
bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium) has a molecular weight of 801.43 g/mol, XLogP of 10.76, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanylidene)rhenium;sulfanide;bis(tetrabutylazanium) is sourced from PubChem (CID 175741211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).