trimethylsulfanium fluoride

C3H9FS — CID 22281091

IUPACtrimethylsulfanium fluoride
SMILESC[S+](C)C.[F-]
InChIInChI=1S/C3H9S.FH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKeyGLMLIFKQHOMAAP-UHFFFAOYSA-M
MW96.17 g/mol
LogP-2.50
Rot. Bonds

About trimethylsulfanium fluoride

trimethylsulfanium fluoride (PubChem CID 22281091) has the molecular formula C3H9FS and a molecular weight of 96.17 g/mol. Its IUPAC name is trimethylsulfanium fluoride.

Molecular Properties

Compound Nametrimethylsulfanium fluoride
PubChem CID22281091
Molecular FormulaC3H9FS
Molecular Weight96.17 g/mol
Exact Mass96.04
IUPAC Nametrimethylsulfanium fluoride
SMILESC[S+](C)C.[F-]
InChIInChI=1S/C3H9S.FH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKeyGLMLIFKQHOMAAP-UHFFFAOYSA-M
XLogP-2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 5-2.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethylsulfanium fluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsulfanium fluoride?
The IUPAC name of trimethylsulfanium fluoride (CID 22281091) is trimethylsulfanium fluoride.
What is the SMILES notation for trimethylsulfanium fluoride?
The canonical SMILES for trimethylsulfanium fluoride is C[S+](C)C.[F-].
What is the InChIKey of trimethylsulfanium fluoride?
The InChIKey is GLMLIFKQHOMAAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9S.FH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1.
What are the key properties of trimethylsulfanium fluoride?
trimethylsulfanium fluoride has a molecular weight of 96.17 g/mol, XLogP of -2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsulfanium fluoride is sourced from PubChem (CID 22281091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).