octoxy-phenyl-sulfanylidenephosphanium

C14H22OPS+ — CID 86243593

IUPACoctoxy-phenyl-sulfanylidenephosphanium
SMILESCCCCCCCCO[P+](=S)c1ccccc1
InChIInChI=1S/C14H22OPS/c1-2-3-4-5-6-10-13-15-16(17)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/q+1
InChIKeyOFNKNSHGXMDVBT-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.55
Rot. Bonds9

About octoxy-phenyl-sulfanylidenephosphanium

octoxy-phenyl-sulfanylidenephosphanium (PubChem CID 86243593) has the molecular formula C14H22OPS+ and a molecular weight of 269.37 g/mol. Its IUPAC name is octoxy-phenyl-sulfanylidenephosphanium.

Molecular Properties

Compound Nameoctoxy-phenyl-sulfanylidenephosphanium
PubChem CID86243593
Molecular FormulaC14H22OPS+
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Nameoctoxy-phenyl-sulfanylidenephosphanium
SMILESCCCCCCCCO[P+](=S)c1ccccc1
InChIInChI=1S/C14H22OPS/c1-2-3-4-5-6-10-13-15-16(17)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/q+1
InChIKeyOFNKNSHGXMDVBT-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.55
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'}

Analyze octoxy-phenyl-sulfanylidenephosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

heptoxy-oxo-phenylphosphanium
CID 14512427
oxo-phenoxy-undecoxyphosphanium
CID 67392956
benzene;dihexoxy(oxo)phosphanium
CID 19391965
pentoxybenzene;undecane
CID 174778179
dihexadecoxy(phenyl)silane
CID 173048581
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
9,10-dioctoxyanthracene
CID 21304201
hexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935003
fluorobenzene;1-hexoxyhexane
CID 174664464
dodecoxybenzene;ethene;hydrate
CID 174804981
2-pentoxyethylbenzene
CID 3022447

Frequently Asked Questions

What is the IUPAC name of octoxy-phenyl-sulfanylidenephosphanium?
The IUPAC name of octoxy-phenyl-sulfanylidenephosphanium (CID 86243593) is octoxy-phenyl-sulfanylidenephosphanium.
What is the SMILES notation for octoxy-phenyl-sulfanylidenephosphanium?
The canonical SMILES for octoxy-phenyl-sulfanylidenephosphanium is CCCCCCCCO[P+](=S)c1ccccc1.
What is the InChIKey of octoxy-phenyl-sulfanylidenephosphanium?
The InChIKey is OFNKNSHGXMDVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OPS/c1-2-3-4-5-6-10-13-15-16(17)14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3/q+1.
What are the key properties of octoxy-phenyl-sulfanylidenephosphanium?
octoxy-phenyl-sulfanylidenephosphanium has a molecular weight of 269.37 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octoxy-phenyl-sulfanylidenephosphanium is sourced from PubChem (CID 86243593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).