potassium trifluoro(propylsulfanylmethyl)boranuide

C4H9BF3KS — CID 63704708

IUPACpotassium trifluoro(propylsulfanylmethyl)boranuide
SMILESCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H9BF3S.K/c1-2-3-9-4-5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyQCFWRTUYYMGTBE-UHFFFAOYSA-N
MW196.09 g/mol
LogP-0.48
Rot. Bonds4

About potassium trifluoro(propylsulfanylmethyl)boranuide

potassium trifluoro(propylsulfanylmethyl)boranuide (PubChem CID 63704708) has the molecular formula C4H9BF3KS and a molecular weight of 196.09 g/mol. Its IUPAC name is potassium trifluoro(propylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(propylsulfanylmethyl)boranuide
PubChem CID63704708
Molecular FormulaC4H9BF3KS
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Namepotassium trifluoro(propylsulfanylmethyl)boranuide
SMILESCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H9BF3S.K/c1-2-3-9-4-5(6,7)8;/h2-4H2,1H3;/q-1;+1
InChIKeyQCFWRTUYYMGTBE-UHFFFAOYSA-N
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(propylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(propylsulfanylmethyl)boranuide (CID 63704708) is potassium trifluoro(propylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(propylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(propylsulfanylmethyl)boranuide is CCCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(propylsulfanylmethyl)boranuide?
The InChIKey is QCFWRTUYYMGTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BF3S.K/c1-2-3-9-4-5(6,7)8;/h2-4H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro(propylsulfanylmethyl)boranuide?
potassium trifluoro(propylsulfanylmethyl)boranuide has a molecular weight of 196.09 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(propylsulfanylmethyl)boranuide is sourced from PubChem (CID 63704708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).