potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane

C16H34KPS2 — CID 87075978

IUPACpotassium dioctyl-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCP(=S)([S-])CCCCCCCC.[K+]
InChIInChI=1S/C16H35PS2.K/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyHRANSTGHZSEXRW-UHFFFAOYSA-M
MW360.65 g/mol
LogP3.65
Rot. Bonds14

About potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane

potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane (PubChem CID 87075978) has the molecular formula C16H34KPS2 and a molecular weight of 360.65 g/mol. Its IUPAC name is potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane.

Molecular Properties

Compound Namepotassium dioctyl-sulfanylidene-sulfido-λ5-phosphane
PubChem CID87075978
Molecular FormulaC16H34KPS2
Molecular Weight360.65 g/mol
Exact Mass360.15
IUPAC Namepotassium dioctyl-sulfanylidene-sulfido-λ5-phosphane
SMILESCCCCCCCCP(=S)([S-])CCCCCCCC.[K+]
InChIInChI=1S/C16H35PS2.K/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeyHRANSTGHZSEXRW-UHFFFAOYSA-M
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro-hexyl-sulfanylidene-lambda5-phosphane
CID 12782644
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
1-[[di(tetradecyl)phosphinothioylamino]-tetradecylphosphinothioyl]tetradecane
CID 87562653
1-[[di(icosyl)phosphinothioylamino]-icosylphosphinothioyl]icosane
CID 87562309
heptane;silane;trihydrochloride
CID 173470147
bis(octane);silane;dihydrochloride
CID 173470119
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
hexoxy-octoxy-sulfanylidene-sulfido-λ5-phosphane
CID 168851280
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexadecane;pentadecane
CID 159687875

Frequently Asked Questions

What is the IUPAC name of potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane?
The IUPAC name of potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane (CID 87075978) is potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane.
What is the SMILES notation for potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane?
The canonical SMILES for potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane is CCCCCCCCP(=S)([S-])CCCCCCCC.[K+].
What is the InChIKey of potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane?
The InChIKey is HRANSTGHZSEXRW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H35PS2.K/c1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane?
potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane has a molecular weight of 360.65 g/mol, XLogP of 3.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dioctyl-sulfanylidene-sulfido-λ5-phosphane is sourced from PubChem (CID 87075978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).