sodium dibutyl-oxido-sulfanylidene-λ5-phosphane

C8H18NaOPS — CID 23690563

IUPACsodium dibutyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCP([O-])(=S)CCCC.[Na+]
InChIInChI=1S/C8H19OPS.Na/c1-3-5-7-10(9,11)8-6-4-2;/h3-8H2,1-2H3,(H,9,11);/q;+1/p-1
InChIKeyPOZHJULZJSCJNJ-UHFFFAOYSA-M
MW216.26 g/mol
LogP-0.65
Rot. Bonds6

About sodium dibutyl-oxido-sulfanylidene-λ5-phosphane

sodium dibutyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23690563) has the molecular formula C8H18NaOPS and a molecular weight of 216.26 g/mol. Its IUPAC name is sodium dibutyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium dibutyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID23690563
Molecular FormulaC8H18NaOPS
Molecular Weight216.26 g/mol
Exact Mass216.07
IUPAC Namesodium dibutyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCP([O-])(=S)CCCC.[Na+]
InChIInChI=1S/C8H19OPS.Na/c1-3-5-7-10(9,11)8-6-4-2;/h3-8H2,1-2H3,(H,9,11);/q;+1/p-1
InChIKeyPOZHJULZJSCJNJ-UHFFFAOYSA-M
XLogP-0.65
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(dibutylphosphinate);tin(4+)
CID 175973447
dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium
CID 174932209
butane;tetrasulfide;dithiophosphate
CID 21199892
sodium dioctylphosphinate
CID 23691904
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
dioxido-sulfanylidene-sulfido-λ5-phosphane;tris(tetrabutylphosphanium)
CID 158699132
butyl(methyl)phosphinic acid
CID 10909622
dibutyl-methyl-methylidene-λ5-phosphane
CID 59603144
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991

Frequently Asked Questions

What is the IUPAC name of sodium dibutyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium dibutyl-oxido-sulfanylidene-λ5-phosphane (CID 23690563) is sodium dibutyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium dibutyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium dibutyl-oxido-sulfanylidene-λ5-phosphane is CCCCP([O-])(=S)CCCC.[Na+].
What is the InChIKey of sodium dibutyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is POZHJULZJSCJNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19OPS.Na/c1-3-5-7-10(9,11)8-6-4-2;/h3-8H2,1-2H3,(H,9,11);/q;+1/p-1.
What are the key properties of sodium dibutyl-oxido-sulfanylidene-λ5-phosphane?
sodium dibutyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 216.26 g/mol, XLogP of -0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dibutyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23690563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).