methyl-di(propan-2-yl)sulfanium tetrafluoroborate

C7H17BF4S — CID 19426498

IUPACmethyl-di(propan-2-yl)sulfanium tetrafluoroborate
SMILESCC(C)[S+](C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C7H17S.BF4/c1-6(2)8(5)7(3)4;2-1(3,4)5/h6-7H,1-5H3;/q+1;-1
InChIKeyCWWTXRVNHOGWHR-UHFFFAOYSA-N
MW220.08 g/mol
LogP3.35
Rot. Bonds2

About methyl-di(propan-2-yl)sulfanium tetrafluoroborate

methyl-di(propan-2-yl)sulfanium tetrafluoroborate (PubChem CID 19426498) has the molecular formula C7H17BF4S and a molecular weight of 220.08 g/mol. Its IUPAC name is methyl-di(propan-2-yl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namemethyl-di(propan-2-yl)sulfanium tetrafluoroborate
PubChem CID19426498
Molecular FormulaC7H17BF4S
Molecular Weight220.08 g/mol
Exact Mass220.11
IUPAC Namemethyl-di(propan-2-yl)sulfanium tetrafluoroborate
SMILESCC(C)[S+](C)C(C)C.F[B-](F)(F)F
InChIInChI=1S/C7H17S.BF4/c1-6(2)8(5)7(3)4;2-1(3,4)5/h6-7H,1-5H3;/q+1;-1
InChIKeyCWWTXRVNHOGWHR-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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-di(propan-2-yl)sulfanium tetrafluoroborate?
The IUPAC name of methyl-di(propan-2-yl)sulfanium tetrafluoroborate (CID 19426498) is methyl-di(propan-2-yl)sulfanium tetrafluoroborate.
What is the SMILES notation for methyl-di(propan-2-yl)sulfanium tetrafluoroborate?
The canonical SMILES for methyl-di(propan-2-yl)sulfanium tetrafluoroborate is CC(C)[S+](C)C(C)C.F[B-](F)(F)F.
What is the InChIKey of methyl-di(propan-2-yl)sulfanium tetrafluoroborate?
The InChIKey is CWWTXRVNHOGWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17S.BF4/c1-6(2)8(5)7(3)4;2-1(3,4)5/h6-7H,1-5H3;/q+1;-1.
What are the key properties of methyl-di(propan-2-yl)sulfanium tetrafluoroborate?
methyl-di(propan-2-yl)sulfanium tetrafluoroborate has a molecular weight of 220.08 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(propan-2-yl)sulfanium tetrafluoroborate is sourced from PubChem (CID 19426498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).