copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane

C8H17CuO2PS2 — CID 141062183

IUPACcopper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCSP([O-])([O-])=S.[Cu+2]
InChIInChI=1S/C8H19O2PS2.Cu/c1-2-3-4-5-6-7-8-13-11(9,10)12;/h2-8H2,1H3,(H2,9,10,12);/q;+2/p-2
InChIKeyMXQNVUSPQIDYMJ-UHFFFAOYSA-L
MW303.88 g/mol
LogP2.02
Rot. Bonds8

About copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane

copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 141062183) has the molecular formula C8H17CuO2PS2 and a molecular weight of 303.88 g/mol. Its IUPAC name is copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecopper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
PubChem CID141062183
Molecular FormulaC8H17CuO2PS2
Molecular Weight303.88 g/mol
Exact Mass302.97
IUPAC Namecopper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCSP([O-])([O-])=S.[Cu+2]
InChIInChI=1S/C8H19O2PS2.Cu/c1-2-3-4-5-6-7-8-13-11(9,10)12;/h2-8H2,1H3,(H2,9,10,12);/q;+2/p-2
InChIKeyMXQNVUSPQIDYMJ-UHFFFAOYSA-L
XLogP2.02
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dioxido-sulfanylidene-tridecylsulfanyl-λ5-phosphane);molybdenum(4+)
CID 162208219
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
dichloro-pentylsulfanyl-sulfanylidene-lambda5-phosphane
CID 15833782
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879
1-dichlorophosphorylsulfanylhexane
CID 19915290
decylsulfanylphosphonic acid
CID 21217457
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233

Frequently Asked Questions

What is the IUPAC name of copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane (CID 141062183) is copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane is CCCCCCCCSP([O-])([O-])=S.[Cu+2].
What is the InChIKey of copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is MXQNVUSPQIDYMJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19O2PS2.Cu/c1-2-3-4-5-6-7-8-13-11(9,10)12;/h2-8H2,1H3,(H2,9,10,12);/q;+2/p-2.
What are the key properties of copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane?
copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 303.88 g/mol, XLogP of 2.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper octylsulfanyl-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 141062183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).