diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate

C8H17F3O4S2 — CID 157442403

IUPACdiethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate
SMILESCC[S+](CC)CCOC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C7H17OS.CHF3O3S/c1-4-9(5-2)7-6-8-3;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyBRVAVPQKEJTTDS-UHFFFAOYSA-M
MW298.35 g/mol
LogP1.34
Rot. Bonds5

About diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate

diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate (PubChem CID 157442403) has the molecular formula C8H17F3O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate.

Molecular Properties

Compound Namediethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate
PubChem CID157442403
Molecular FormulaC8H17F3O4S2
Molecular Weight298.35 g/mol
Exact Mass298.05
IUPAC Namediethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate
SMILESCC[S+](CC)CCOC.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/C7H17OS.CHF3O3S/c1-4-9(5-2)7-6-8-3;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1
InChIKeyBRVAVPQKEJTTDS-UHFFFAOYSA-M
XLogP1.34
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate 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

diethyl(4-sulfobutyl)sulfanium;trifluoromethanesulfonate
CID 87059924
tributyl(2-methoxyethyl)phosphanium;trifluoromethanesulfonate
CID 162622238
triethylphosphanium;trifluoromethanesulfonate
CID 158854651
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
1-(2-methoxyethyl)-1-methylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 122553764
ethylazanyliumylethane; trifluoromethanesulfonate
CID 53431550
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,2-trifluoro-4-methoxybutane-1-sulfonate
CID 58100672

Frequently Asked Questions

What is the IUPAC name of diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate?
The IUPAC name of diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate (CID 157442403) is diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate.
What is the SMILES notation for diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate?
The canonical SMILES for diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate is CC[S+](CC)CCOC.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate?
The InChIKey is BRVAVPQKEJTTDS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H17OS.CHF3O3S/c1-4-9(5-2)7-6-8-3;2-1(3,4)8(5,6)7/h4-7H2,1-3H3;(H,5,6,7)/q+1;/p-1.
What are the key properties of diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate?
diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate has a molecular weight of 298.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-methoxyethyl)sulfanium;trifluoromethanesulfonate is sourced from PubChem (CID 157442403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).