bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)

C8H16O6P2PtS4 — CID 11614081

IUPACbis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)
SMILESCOCC1COP(=S)([S-])O1.COCC1COP(=S)([S-])O1.[Pt+2]
InChIInChI=1S/2C4H9O3PS2.Pt/c2*1-5-2-4-3-6-8(9,10)7-4;/h2*4H,2-3H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyXIXPJDNJGXQTOD-UHFFFAOYSA-L
MW593.50 g/mol
LogP1.64
Rot. Bonds4

About bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)

bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+) (PubChem CID 11614081) has the molecular formula C8H16O6P2PtS4 and a molecular weight of 593.50 g/mol. Its IUPAC name is bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+).

Molecular Properties

Compound Namebis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)
PubChem CID11614081
Molecular FormulaC8H16O6P2PtS4
Molecular Weight593.50 g/mol
Exact Mass592.90
IUPAC Namebis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)
SMILESCOCC1COP(=S)([S-])O1.COCC1COP(=S)([S-])O1.[Pt+2]
InChIInChI=1S/2C4H9O3PS2.Pt/c2*1-5-2-4-3-6-8(9,10)7-4;/h2*4H,2-3H2,1H3,(H,9,10);/q;;+2/p-2
InChIKeyXIXPJDNJGXQTOD-UHFFFAOYSA-L
XLogP1.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.50
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)?
The IUPAC name of bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+) (CID 11614081) is bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+).
What is the SMILES notation for bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)?
The canonical SMILES for bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+) is COCC1COP(=S)([S-])O1.COCC1COP(=S)([S-])O1.[Pt+2].
What is the InChIKey of bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)?
The InChIKey is XIXPJDNJGXQTOD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H9O3PS2.Pt/c2*1-5-2-4-3-6-8(9,10)7-4;/h2*4H,2-3H2,1H3,(H,9,10);/q;;+2/p-2.
What are the key properties of bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+)?
bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+) has a molecular weight of 593.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(methoxymethyl)-2-sulfanylidene-2-sulfido-1,3,2λ5-dioxaphospholane);platinum(2+) is sourced from PubChem (CID 11614081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).