ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate

C4H11BF4S2 — CID 88502782

IUPACethylsulfanyl(dimethyl)sulfanium tetrafluoroborate
SMILESCCS[S+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11S2.BF4/c1-4-5-6(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeyAHQSWTYVNHYMFN-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.83
Rot. Bonds2

About ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate

ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate (PubChem CID 88502782) has the molecular formula C4H11BF4S2 and a molecular weight of 210.07 g/mol. Its IUPAC name is ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Nameethylsulfanyl(dimethyl)sulfanium tetrafluoroborate
PubChem CID88502782
Molecular FormulaC4H11BF4S2
Molecular Weight210.07 g/mol
Exact Mass210.03
IUPAC Nameethylsulfanyl(dimethyl)sulfanium tetrafluoroborate
SMILESCCS[S+](C)C.F[B-](F)(F)F
InChIInChI=1S/C4H11S2.BF4/c1-4-5-6(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1
InChIKeyAHQSWTYVNHYMFN-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate 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 ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate?
The IUPAC name of ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate (CID 88502782) is ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate.
What is the SMILES notation for ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate?
The canonical SMILES for ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate is CCS[S+](C)C.F[B-](F)(F)F.
What is the InChIKey of ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate?
The InChIKey is AHQSWTYVNHYMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11S2.BF4/c1-4-5-6(2)3;2-1(3,4)5/h4H2,1-3H3;/q+1;-1.
What are the key properties of ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate?
ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate has a molecular weight of 210.07 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl(dimethyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 88502782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).