bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)

C20H36O8P2PtS4 — CID 11564047

IUPACbis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
SMILESS=P([S-])(OC1CCOCC1)OC1CCOCC1.S=P([S-])(OC1CCOCC1)OC1CCOCC1.[Pt+2]
InChIInChI=1S/2C10H19O4PS2.Pt/c2*16-15(17,13-9-1-5-11-6-2-9)14-10-3-7-12-8-4-10;/h2*9-10H,1-8H2,(H,16,17);/q;;+2/p-2
InChIKeyBWHQLOBGCDJNMY-UHFFFAOYSA-L
MW789.79 g/mol
LogP4.30
Rot. Bonds8

About bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)

bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+) (PubChem CID 11564047) has the molecular formula C20H36O8P2PtS4 and a molecular weight of 789.79 g/mol. Its IUPAC name is bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+).

Molecular Properties

Compound Namebis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
PubChem CID11564047
Molecular FormulaC20H36O8P2PtS4
Molecular Weight789.79 g/mol
Exact Mass789.04
IUPAC Namebis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
SMILESS=P([S-])(OC1CCOCC1)OC1CCOCC1.S=P([S-])(OC1CCOCC1)OC1CCOCC1.[Pt+2]
InChIInChI=1S/2C10H19O4PS2.Pt/c2*16-15(17,13-9-1-5-11-6-2-9)14-10-3-7-12-8-4-10;/h2*9-10H,1-8H2,(H,16,17);/q;;+2/p-2
InChIKeyBWHQLOBGCDJNMY-UHFFFAOYSA-L
XLogP4.30
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
CID 59303812
CID 59303812
oxolan-3-yloxyphosphane
CID 163403367
dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
CID 171129956
hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
CID 167523806
CID 58450362
CID 58450362
4-phenoxyoxane
CID 58483739
cyclopropane;oxan-4-yl acetate
CID 69401848
4-(oxan-4-yloxy)but-2-enoic acid
CID 76941009
oxan-4-yl trifluoromethanesulfonate
CID 22736208
4-(2-iodocyclopentyl)oxyoxane
CID 114772305

Frequently Asked Questions

What is the IUPAC name of bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)?
The IUPAC name of bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+) (CID 11564047) is bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+).
What is the SMILES notation for bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)?
The canonical SMILES for bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+) is S=P([S-])(OC1CCOCC1)OC1CCOCC1.S=P([S-])(OC1CCOCC1)OC1CCOCC1.[Pt+2].
What is the InChIKey of bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)?
The InChIKey is BWHQLOBGCDJNMY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H19O4PS2.Pt/c2*16-15(17,13-9-1-5-11-6-2-9)14-10-3-7-12-8-4-10;/h2*9-10H,1-8H2,(H,16,17);/q;;+2/p-2.
What are the key properties of bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)?
bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+) has a molecular weight of 789.79 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(oxan-4-yloxy)-sulfanylidene-sulfido-λ5-phosphane);platinum(2+) is sourced from PubChem (CID 11564047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).