dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)

C48H108O2P4S2 — CID 158699132

IUPACdioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.[O-]P([O-])(=S)[S-]
InChIInChI=1S/3C16H36P.H3O2PS2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3(2,4)5/h3*5-16H2,1-4H3;(H3,1,2,4,5)/q3*+1;/p-3
InChIKeyIHHUZUJPMKVHGE-UHFFFAOYSA-K
MW905.42 g/mol
LogP17.09
Rot. Bonds36

About dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)

dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium) (PubChem CID 158699132) has the molecular formula C48H108O2P4S2 and a molecular weight of 905.42 g/mol. Its IUPAC name is dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium).

Molecular Properties

Compound Namedioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)
PubChem CID158699132
Molecular FormulaC48H108O2P4S2
Molecular Weight905.42 g/mol
Exact Mass904.67
IUPAC Namedioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)
SMILESCCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.[O-]P([O-])(=S)[S-]
InChIInChI=1S/3C16H36P.H3O2PS2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3(2,4)5/h3*5-16H2,1-4H3;(H3,1,2,4,5)/q3*+1;/p-3
InChIKeyIHHUZUJPMKVHGE-UHFFFAOYSA-K
XLogP17.09
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.42
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetrabutylphosphanium;tin(4+)
CID 160650774
tributyl(9-tributylphosphaniumylnonyl)phosphanium
CID 59839708
stibane;tetrabutylphosphanium;hexahydrofluoride
CID 172998203
tetrabutylphosphanium;fluoride;dihydrofluoride
CID 11823303
butan-1-olate;tetrabutylphosphanium
CID 19766644
tributyl(icosyl)phosphanium
CID 23086982
tributyl(tridecyl)phosphanium
CID 87194469
dibutyl(dipentyl)phosphanium iodide
CID 87778767
azane;tetrabutylphosphanium;chloride;hydrochloride
CID 174751452
butyl(triheptyl)phosphanium
CID 87777247
bis(2-methylpropane);trihexyl(tetradecyl)phosphanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174209331
dibutyl(didecyl)phosphanium iodide
CID 87776919

Frequently Asked Questions

What is the IUPAC name of dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)?
The IUPAC name of dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium) (CID 158699132) is dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium).
What is the SMILES notation for dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)?
The canonical SMILES for dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium) is CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.CCCC[P+](CCCC)(CCCC)CCCC.[O-]P([O-])(=S)[S-].
What is the InChIKey of dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)?
The InChIKey is IHHUZUJPMKVHGE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C16H36P.H3O2PS2/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-3(2,4)5/h3*5-16H2,1-4H3;(H3,1,2,4,5)/q3*+1;/p-3.
What are the key properties of dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)?
dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium) has a molecular weight of 905.42 g/mol, XLogP of 17.09, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium) is sourced from PubChem (CID 158699132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).