potassium;hydride;2-methylthiophene;tritetrafluoroborate

C5H7B3F12KS-3 — CID 175180205

IUPACpotassium;hydride;2-methylthiophene;tritetrafluoroborate
SMILESCc1cccs1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+]
InChIInChI=1S/C5H6S.3BF4.K.H/c1-5-3-2-4-6-5;3*2-1(3,4)5;;/h2-4H,1H3;;;;;/q;3*-1;+1;-1
InChIKeyAEMBZIQDPRQSSF-UHFFFAOYSA-N
MW398.69 g/mol
LogP3.07
Rot. Bonds

About potassium;hydride;2-methylthiophene;tritetrafluoroborate

potassium;hydride;2-methylthiophene;tritetrafluoroborate (PubChem CID 175180205) has the molecular formula C5H7B3F12KS-3 and a molecular weight of 398.69 g/mol. Its IUPAC name is potassium;hydride;2-methylthiophene;tritetrafluoroborate.

Molecular Properties

Compound Namepotassium;hydride;2-methylthiophene;tritetrafluoroborate
PubChem CID175180205
Molecular FormulaC5H7B3F12KS-3
Molecular Weight398.69 g/mol
Exact Mass399.00
IUPAC Namepotassium;hydride;2-methylthiophene;tritetrafluoroborate
SMILESCc1cccs1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+]
InChIInChI=1S/C5H6S.3BF4.K.H/c1-5-3-2-4-6-5;3*2-1(3,4)5;;/h2-4H,1H3;;;;;/q;3*-1;+1;-1
InChIKeyAEMBZIQDPRQSSF-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.69
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-methylthiophene;tritetrafluoroborate?
The IUPAC name of potassium;hydride;2-methylthiophene;tritetrafluoroborate (CID 175180205) is potassium;hydride;2-methylthiophene;tritetrafluoroborate.
What is the SMILES notation for potassium;hydride;2-methylthiophene;tritetrafluoroborate?
The canonical SMILES for potassium;hydride;2-methylthiophene;tritetrafluoroborate is Cc1cccs1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[H-].[K+].
What is the InChIKey of potassium;hydride;2-methylthiophene;tritetrafluoroborate?
The InChIKey is AEMBZIQDPRQSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.3BF4.K.H/c1-5-3-2-4-6-5;3*2-1(3,4)5;;/h2-4H,1H3;;;;;/q;3*-1;+1;-1.
What are the key properties of potassium;hydride;2-methylthiophene;tritetrafluoroborate?
potassium;hydride;2-methylthiophene;tritetrafluoroborate has a molecular weight of 398.69 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-methylthiophene;tritetrafluoroborate is sourced from PubChem (CID 175180205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).