[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate

C5H13BF4N2S — CID 159522604

IUPAC[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate
SMILESCN(C)C(S)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C5H12N2S.BF4/c1-6(2)5(8)7(3)4;2-1(3,4)5/h1-4H3;/q;-1/p+1
InChIKeyMBZMENYQZPRJPH-UHFFFAOYSA-O
MW220.04 g/mol
LogP1.41
Rot. Bonds

About [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate

[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate (PubChem CID 159522604) has the molecular formula C5H13BF4N2S and a molecular weight of 220.04 g/mol. Its IUPAC name is [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate.

Molecular Properties

Compound Name[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate
PubChem CID159522604
Molecular FormulaC5H13BF4N2S
Molecular Weight220.04 g/mol
Exact Mass220.08
IUPAC Name[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate
SMILESCN(C)C(S)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C5H12N2S.BF4/c1-6(2)5(8)7(3)4;2-1(3,4)5/h1-4H3;/q;-1/p+1
InChIKeyMBZMENYQZPRJPH-UHFFFAOYSA-O
XLogP1.41
TPSA6.25 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate?
The IUPAC name of [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate (CID 159522604) is [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate.
What is the SMILES notation for [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate?
The canonical SMILES for [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate is CN(C)C(S)=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate?
The InChIKey is MBZMENYQZPRJPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2S.BF4/c1-6(2)5(8)7(3)4;2-1(3,4)5/h1-4H3;/q;-1/p+1.
What are the key properties of [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate?
[dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate has a molecular weight of 220.04 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(sulfanyl)methylidene]-dimethylazanium tetrafluoroborate is sourced from PubChem (CID 159522604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).