dioctyl-phenyl-sulfanylidene-λ5-phosphane

C22H39PS — CID 54529232

IUPACdioctyl-phenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCP(=S)(CCCCCCCC)c1ccccc1
InChIInChI=1S/C22H39PS/c1-3-5-7-9-11-16-20-23(24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChIKeyYVHSKTMDDVTZAD-UHFFFAOYSA-N
MW366.60 g/mol
LogP7.51
Rot. Bonds15

About dioctyl-phenyl-sulfanylidene-λ5-phosphane

dioctyl-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 54529232) has the molecular formula C22H39PS and a molecular weight of 366.60 g/mol. Its IUPAC name is dioctyl-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedioctyl-phenyl-sulfanylidene-λ5-phosphane
PubChem CID54529232
Molecular FormulaC22H39PS
Molecular Weight366.60 g/mol
Exact Mass366.25
IUPAC Namedioctyl-phenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCP(=S)(CCCCCCCC)c1ccccc1
InChIInChI=1S/C22H39PS/c1-3-5-7-9-11-16-20-23(24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
InChIKeyYVHSKTMDDVTZAD-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.60
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 122379298
[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
1,1'-biphenyl;hexadecane
CID 173308514
1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 23415993
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
nonylbenzene;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173454942
nonylbenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 87186209
4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 13159128
benzene;heptane;hexane;toluene
CID 160959480

Frequently Asked Questions

What is the IUPAC name of dioctyl-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of dioctyl-phenyl-sulfanylidene-λ5-phosphane (CID 54529232) is dioctyl-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dioctyl-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for dioctyl-phenyl-sulfanylidene-λ5-phosphane is CCCCCCCCP(=S)(CCCCCCCC)c1ccccc1.
What is the InChIKey of dioctyl-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is YVHSKTMDDVTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39PS/c1-3-5-7-9-11-16-20-23(24,22-18-14-13-15-19-22)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3.
What are the key properties of dioctyl-phenyl-sulfanylidene-λ5-phosphane?
dioctyl-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 366.60 g/mol, XLogP of 7.51, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dioctyl-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54529232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).