triethylsulfanium fluoride

C6H15FS — CID 87701095

IUPACtriethylsulfanium fluoride
SMILESCC[S+](CC)CC.[F-]
InChIInChI=1S/C6H15S.FH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyKFWJYDPBKXSLNU-UHFFFAOYSA-M
MW138.25 g/mol
LogP-1.33
Rot. Bonds3

About triethylsulfanium fluoride

triethylsulfanium fluoride (PubChem CID 87701095) has the molecular formula C6H15FS and a molecular weight of 138.25 g/mol. Its IUPAC name is triethylsulfanium fluoride.

Molecular Properties

Compound Nametriethylsulfanium fluoride
PubChem CID87701095
Molecular FormulaC6H15FS
Molecular Weight138.25 g/mol
Exact Mass138.09
IUPAC Nametriethylsulfanium fluoride
SMILESCC[S+](CC)CC.[F-]
InChIInChI=1S/C6H15S.FH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyKFWJYDPBKXSLNU-UHFFFAOYSA-M
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethylsulfanium fluoride?
The IUPAC name of triethylsulfanium fluoride (CID 87701095) is triethylsulfanium fluoride.
What is the SMILES notation for triethylsulfanium fluoride?
The canonical SMILES for triethylsulfanium fluoride is CC[S+](CC)CC.[F-].
What is the InChIKey of triethylsulfanium fluoride?
The InChIKey is KFWJYDPBKXSLNU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15S.FH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triethylsulfanium fluoride?
triethylsulfanium fluoride has a molecular weight of 138.25 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsulfanium fluoride is sourced from PubChem (CID 87701095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).