methyl(dipropyl)sulfanium tetrafluoroborate

C7H17BF4S — CID 141238420

IUPACmethyl(dipropyl)sulfanium tetrafluoroborate
SMILESCCC[S+](C)CCC.F[B-](F)(F)F
InChIInChI=1S/C7H17S.BF4/c1-4-6-8(3)7-5-2;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1
InChIKeyBOKYNUGQVRMFEC-UHFFFAOYSA-N
MW220.08 g/mol
LogP3.35
Rot. Bonds4

About methyl(dipropyl)sulfanium tetrafluoroborate

methyl(dipropyl)sulfanium tetrafluoroborate (PubChem CID 141238420) has the molecular formula C7H17BF4S and a molecular weight of 220.08 g/mol. Its IUPAC name is methyl(dipropyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namemethyl(dipropyl)sulfanium tetrafluoroborate
PubChem CID141238420
Molecular FormulaC7H17BF4S
Molecular Weight220.08 g/mol
Exact Mass220.11
IUPAC Namemethyl(dipropyl)sulfanium tetrafluoroborate
SMILESCCC[S+](C)CCC.F[B-](F)(F)F
InChIInChI=1S/C7H17S.BF4/c1-4-6-8(3)7-5-2;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1
InChIKeyBOKYNUGQVRMFEC-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 methyl(dipropyl)sulfanium tetrafluoroborate?
The IUPAC name of methyl(dipropyl)sulfanium tetrafluoroborate (CID 141238420) is methyl(dipropyl)sulfanium tetrafluoroborate.
What is the SMILES notation for methyl(dipropyl)sulfanium tetrafluoroborate?
The canonical SMILES for methyl(dipropyl)sulfanium tetrafluoroborate is CCC[S+](C)CCC.F[B-](F)(F)F.
What is the InChIKey of methyl(dipropyl)sulfanium tetrafluoroborate?
The InChIKey is BOKYNUGQVRMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17S.BF4/c1-4-6-8(3)7-5-2;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1.
What are the key properties of methyl(dipropyl)sulfanium tetrafluoroborate?
methyl(dipropyl)sulfanium tetrafluoroborate has a molecular weight of 220.08 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(dipropyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 141238420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).