dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate

C5H13BF4N2S — CID 87593002

IUPACdimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate
SMILESCNC(SC)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C5H12N2S.BF4/c1-6-5(8-4)7(2)3;2-1(3,4)5/h1-4H3;/q;-1/p+1
InChIKeyFBFDMKPXLCQUQO-UHFFFAOYSA-O
MW220.04 g/mol
LogP1.50
Rot. Bonds

About dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate

dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate (PubChem CID 87593002) has the molecular formula C5H13BF4N2S and a molecular weight of 220.04 g/mol. Its IUPAC name is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate.

Molecular Properties

Compound Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate
PubChem CID87593002
Molecular FormulaC5H13BF4N2S
Molecular Weight220.04 g/mol
Exact Mass220.08
IUPAC Namedimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate
SMILESCNC(SC)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C5H12N2S.BF4/c1-6-5(8-4)7(2)3;2-1(3,4)5/h1-4H3;/q;-1/p+1
InChIKeyFBFDMKPXLCQUQO-UHFFFAOYSA-O
XLogP1.50
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.04
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

Dimethyl-[methylamino(methylsulfanyl)methylidene]azanium
CID 19388266
methyl N,N,N'-trimethylcarbamimidothioate tetrafluoroborate
CID 174478066
Dimethyl-[methylamino(methylsulfanyl)methylidene]azanium hexafluorophosphate
CID 175384774

Frequently Asked Questions

What is the IUPAC name of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate?
The IUPAC name of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate (CID 87593002) is dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate.
What is the SMILES notation for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate?
The canonical SMILES for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate is CNC(SC)=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate?
The InChIKey is FBFDMKPXLCQUQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2S.BF4/c1-6-5(8-4)7(2)3;2-1(3,4)5/h1-4H3;/q;-1/p+1.
What are the key properties of dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate?
dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate has a molecular weight of 220.04 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[methylamino(methylsulfanyl)methylidene]azanium tetrafluoroborate is sourced from PubChem (CID 87593002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).