oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium

C9H14O2PS+ — CID 57124965

IUPACoxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium
SMILESCS(C)(C)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H14O2PS/c1-13(2,3)11-12(10)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyXREXRPGIIHBRNS-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.68
Rot. Bonds3

About oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium

oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium (PubChem CID 57124965) has the molecular formula C9H14O2PS+ and a molecular weight of 217.25 g/mol. Its IUPAC name is oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium.

Molecular Properties

Compound Nameoxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium
PubChem CID57124965
Molecular FormulaC9H14O2PS+
Molecular Weight217.25 g/mol
Exact Mass217.04
IUPAC Nameoxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium
SMILESCS(C)(C)O[P+](=O)c1ccccc1
InChIInChI=1S/C9H14O2PS/c1-13(2,3)11-12(10)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKeyXREXRPGIIHBRNS-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium 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

aminooxy-oxo-phenylphosphanium
CID 67992641
magnesium;hydride;oxo-phenoxy-phenylphosphanium
CID 173003254
methanol;oxo(diphenyl)phosphanium
CID 174996285
cadmium;oxo(diphenyl)phosphanium
CID 174925548
heptoxy-oxo-phenylphosphanium
CID 14512427
(4-benzylphenyl)-methoxy-oxophosphanium
CID 141205208
5-methylhexoxy-oxo-phenylphosphanium
CID 175576882
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
sodium oxido-oxo-phenylphosphanium
CID 6364990
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
barium(2+);bis(oxido-oxo-phenylphosphanium)
CID 12822253
[4-[hydroxy-[4-[oxo(phenyl)phosphaniumyl]oxyphenyl]methyl]phenoxy]-oxo-phenylphosphanium
CID 175481960

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The IUPAC name of oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium (CID 57124965) is oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium.
What is the SMILES notation for oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The canonical SMILES for oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium is CS(C)(C)O[P+](=O)c1ccccc1.
What is the InChIKey of oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium?
The InChIKey is XREXRPGIIHBRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2PS/c1-13(2,3)11-12(10)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1.
What are the key properties of oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium?
oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium has a molecular weight of 217.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(trimethyl-λ4-sulfanyl)oxyphosphanium is sourced from PubChem (CID 57124965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).