fluoro-methylsulfanyl-oxophosphanium

CH3FOPS+ — CID 21449244

IUPACfluoro-methylsulfanyl-oxophosphanium
SMILESCS[P+](=O)F
InChIInChI=1S/CH3FOPS/c1-5-4(2)3/h1H3/q+1
InChIKeyCLEHELLIBGIFMJ-UHFFFAOYSA-N
MW113.07 g/mol
LogP1.98
Rot. Bonds1

About fluoro-methylsulfanyl-oxophosphanium

fluoro-methylsulfanyl-oxophosphanium (PubChem CID 21449244) has the molecular formula CH3FOPS+ and a molecular weight of 113.07 g/mol. Its IUPAC name is fluoro-methylsulfanyl-oxophosphanium.

Molecular Properties

Compound Namefluoro-methylsulfanyl-oxophosphanium
PubChem CID21449244
Molecular FormulaCH3FOPS+
Molecular Weight113.07 g/mol
Exact Mass112.96
IUPAC Namefluoro-methylsulfanyl-oxophosphanium
SMILESCS[P+](=O)F
InChIInChI=1S/CH3FOPS/c1-5-4(2)3/h1H3/q+1
InChIKeyCLEHELLIBGIFMJ-UHFFFAOYSA-N
XLogP1.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.07
LogP ≤ 51.98
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

methylsulfanyl-methylsulfanyloxy-oxophosphanium
CID 174799937
bis(methylsulfanyloxy)-oxophosphanium
CID 88668783
methylsulfanylmethane;molecular hydrogen
CID 173331748
methylsulfanylmethane;molecular hydrogen
CID 174325185
CID 57417658
CID 57417658
fluoro-oxo-propylphosphanium
CID 118370447
fluoro-fluorooxy-oxophosphanium
CID 175159271
(methyldisulfanyl)methane;molecular hydrogen
CID 174883905
CID 158550042
CID 158550042
hexakis(fluoro-oxido-oxophosphanium);hexakis(triethyloxidanium)
CID 21257298
2-methylsulfanylethyl-oxido-oxophosphanium
CID 138692945
N,N-dimethylformamide;methylsulfanylmethane
CID 158808099

Frequently Asked Questions

What is the IUPAC name of fluoro-methylsulfanyl-oxophosphanium?
The IUPAC name of fluoro-methylsulfanyl-oxophosphanium (CID 21449244) is fluoro-methylsulfanyl-oxophosphanium.
What is the SMILES notation for fluoro-methylsulfanyl-oxophosphanium?
The canonical SMILES for fluoro-methylsulfanyl-oxophosphanium is CS[P+](=O)F.
What is the InChIKey of fluoro-methylsulfanyl-oxophosphanium?
The InChIKey is CLEHELLIBGIFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3FOPS/c1-5-4(2)3/h1H3/q+1.
What are the key properties of fluoro-methylsulfanyl-oxophosphanium?
fluoro-methylsulfanyl-oxophosphanium has a molecular weight of 113.07 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methylsulfanyl-oxophosphanium is sourced from PubChem (CID 21449244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).