butane;tetrasulfide;dithiophosphate

C8H20O6P2S6-14 — CID 21199892

IUPACbutane;tetrasulfide;dithiophosphate
SMILESCCCC.CCCC.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S.[S-2].[S-2].[S-2].[S-2]
InChIInChI=1S/2C4H10.2H3O3PS.4S/c2*1-3-4-2;2*1-4(2,3)5;;;;/h2*3-4H2,1-2H3;2*(H3,1,2,3,5);;;;/q;;;;4*-2/p-6
InChIKeyUAYCJNLIFONNSR-UHFFFAOYSA-H
MW466.59 g/mol
LogP-1.81
Rot. Bonds2

About butane;tetrasulfide;dithiophosphate

butane;tetrasulfide;dithiophosphate (PubChem CID 21199892) has the molecular formula C8H20O6P2S6-14 and a molecular weight of 466.59 g/mol. Its IUPAC name is butane;tetrasulfide;dithiophosphate.

Molecular Properties

Compound Namebutane;tetrasulfide;dithiophosphate
PubChem CID21199892
Molecular FormulaC8H20O6P2S6-14
Molecular Weight466.59 g/mol
Exact Mass465.91
IUPAC Namebutane;tetrasulfide;dithiophosphate
SMILESCCCC.CCCC.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S.[S-2].[S-2].[S-2].[S-2]
InChIInChI=1S/2C4H10.2H3O3PS.4S/c2*1-3-4-2;2*1-4(2,3)5;;;;/h2*3-4H2,1-2H3;2*(H3,1,2,3,5);;;;/q;;;;4*-2/p-6
InChIKeyUAYCJNLIFONNSR-UHFFFAOYSA-H
XLogP-1.81
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

butane;lanthanum(3+);phosphate
CID 118953489
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
N-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637
sodium dibutyl-oxido-sulfanylidene-λ5-phosphane
CID 23690563
N-dimethylphosphinothioylethanamine
CID 586242
trisodium;thiophosphate;nonahydrate
CID 165360175
copper;indium(3+);thiophosphate
CID 158417872
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane
CID 87562223
N-dichlorophosphinothioylethanamine
CID 14249236
N-[amino(butylamino)phosphinothioyl]butan-1-amine
CID 151376674
butane;manganese
CID 173124338

Frequently Asked Questions

What is the IUPAC name of butane;tetrasulfide;dithiophosphate?
The IUPAC name of butane;tetrasulfide;dithiophosphate (CID 21199892) is butane;tetrasulfide;dithiophosphate.
What is the SMILES notation for butane;tetrasulfide;dithiophosphate?
The canonical SMILES for butane;tetrasulfide;dithiophosphate is CCCC.CCCC.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S.[S-2].[S-2].[S-2].[S-2].
What is the InChIKey of butane;tetrasulfide;dithiophosphate?
The InChIKey is UAYCJNLIFONNSR-UHFFFAOYSA-H. The full InChI is InChI=1S/2C4H10.2H3O3PS.4S/c2*1-3-4-2;2*1-4(2,3)5;;;;/h2*3-4H2,1-2H3;2*(H3,1,2,3,5);;;;/q;;;;4*-2/p-6.
What are the key properties of butane;tetrasulfide;dithiophosphate?
butane;tetrasulfide;dithiophosphate has a molecular weight of 466.59 g/mol, XLogP of -1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tetrasulfide;dithiophosphate is sourced from PubChem (CID 21199892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).