tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane

Li4P2S7 — CID 172734127

IUPACtetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane
SMILESS=P([S-])([S-])SP(=S)([S-])[S-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/4Li.H4P2S7/c;;;;3-1(4,5)9-2(6,7)8/h;;;;(H2,3,4,5)(H2,6,7,8)/q4*+1;/p-4
InChIKeyIEUCQFZOAUSVNG-UHFFFAOYSA-J
MW314.18 g/mol
LogP-9.63
Rot. Bonds2

About tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane

tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane (PubChem CID 172734127) has the molecular formula Li4P2S7 and a molecular weight of 314.18 g/mol. Its IUPAC name is tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane.

Molecular Properties

Compound Nametetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane
PubChem CID172734127
Molecular FormulaLi4P2S7
Molecular Weight314.18 g/mol
Exact Mass313.82
IUPAC Nametetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane
SMILESS=P([S-])([S-])SP(=S)([S-])[S-].[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/4Li.H4P2S7/c;;;;3-1(4,5)9-2(6,7)8/h;;;;(H2,3,4,5)(H2,6,7,8)/q4*+1;/p-4
InChIKeyIEUCQFZOAUSVNG-UHFFFAOYSA-J
XLogP-9.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 5-9.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane?
The IUPAC name of tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane (CID 172734127) is tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane.
What is the SMILES notation for tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane?
The canonical SMILES for tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane is S=P([S-])([S-])SP(=S)([S-])[S-].[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane?
The InChIKey is IEUCQFZOAUSVNG-UHFFFAOYSA-J. The full InChI is InChI=1S/4Li.H4P2S7/c;;;;3-1(4,5)9-2(6,7)8/h;;;;(H2,3,4,5)(H2,6,7,8)/q4*+1;/p-4.
What are the key properties of tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane?
tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane has a molecular weight of 314.18 g/mol, XLogP of -9.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;sulfanylidene-disulfido-trithiophosphonatosulfanyl-λ5-phosphane is sourced from PubChem (CID 172734127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).