potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide

C4H9BF3KS — CID 63702356

IUPACpotassium trifluoro(propan-2-ylsulfanylmethyl)boranuide
SMILESCC(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H9BF3S.K/c1-4(2)9-3-5(6,7)8;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyTWTIVDMXJSTLMP-UHFFFAOYSA-N
MW196.09 g/mol
LogP-0.48
Rot. Bonds3

About potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide

potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide (PubChem CID 63702356) has the molecular formula C4H9BF3KS and a molecular weight of 196.09 g/mol. Its IUPAC name is potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(propan-2-ylsulfanylmethyl)boranuide
PubChem CID63702356
Molecular FormulaC4H9BF3KS
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Namepotassium trifluoro(propan-2-ylsulfanylmethyl)boranuide
SMILESCC(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H9BF3S.K/c1-4(2)9-3-5(6,7)8;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyTWTIVDMXJSTLMP-UHFFFAOYSA-N
XLogP-0.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide (CID 63702356) is potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide is CC(C)SC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide?
The InChIKey is TWTIVDMXJSTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BF3S.K/c1-4(2)9-3-5(6,7)8;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide?
potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide has a molecular weight of 196.09 g/mol, XLogP of -0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide is sourced from PubChem (CID 63702356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).