2-ethylsulfanylethylsulfanium tetrafluoroborate

C4H11BF4S2 — CID 88606648

IUPAC2-ethylsulfanylethylsulfanium tetrafluoroborate
SMILESCCSCC[SH2+].F[B-](F)(F)F
InChIInChI=1S/C4H10S2.BF4/c1-2-6-4-3-5;2-1(3,4)5/h5H,2-4H2,1H3;/q;-1/p+1
InChIKeyFLQDZJZZGZVVBV-UHFFFAOYSA-O
MW210.07 g/mol
LogP2.05
Rot. Bonds3

About 2-ethylsulfanylethylsulfanium tetrafluoroborate

2-ethylsulfanylethylsulfanium tetrafluoroborate (PubChem CID 88606648) has the molecular formula C4H11BF4S2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-ethylsulfanylethylsulfanium tetrafluoroborate.

Molecular Properties

Compound Name2-ethylsulfanylethylsulfanium tetrafluoroborate
PubChem CID88606648
Molecular FormulaC4H11BF4S2
Molecular Weight210.07 g/mol
Exact Mass210.03
IUPAC Name2-ethylsulfanylethylsulfanium tetrafluoroborate
SMILESCCSCC[SH2+].F[B-](F)(F)F
InChIInChI=1S/C4H10S2.BF4/c1-2-6-4-3-5;2-1(3,4)5/h5H,2-4H2,1H3;/q;-1/p+1
InChIKeyFLQDZJZZGZVVBV-UHFFFAOYSA-O
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethylsulfanium tetrafluoroborate?
The IUPAC name of 2-ethylsulfanylethylsulfanium tetrafluoroborate (CID 88606648) is 2-ethylsulfanylethylsulfanium tetrafluoroborate.
What is the SMILES notation for 2-ethylsulfanylethylsulfanium tetrafluoroborate?
The canonical SMILES for 2-ethylsulfanylethylsulfanium tetrafluoroborate is CCSCC[SH2+].F[B-](F)(F)F.
What is the InChIKey of 2-ethylsulfanylethylsulfanium tetrafluoroborate?
The InChIKey is FLQDZJZZGZVVBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10S2.BF4/c1-2-6-4-3-5;2-1(3,4)5/h5H,2-4H2,1H3;/q;-1/p+1.
What are the key properties of 2-ethylsulfanylethylsulfanium tetrafluoroborate?
2-ethylsulfanylethylsulfanium tetrafluoroborate has a molecular weight of 210.07 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethylsulfanium tetrafluoroborate is sourced from PubChem (CID 88606648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).