potassium trifluoro(pentylsulfanylmethyl)boranuide

C6H13BF3KS — CID 107761094

IUPACpotassium trifluoro(pentylsulfanylmethyl)boranuide
SMILESCCCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-2-3-4-5-11-6-7(8,9)10;/h2-6H2,1H3;/q-1;+1
InChIKeyPIAUBGZYDZBFFD-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.30
Rot. Bonds6

About potassium trifluoro(pentylsulfanylmethyl)boranuide

potassium trifluoro(pentylsulfanylmethyl)boranuide (PubChem CID 107761094) has the molecular formula C6H13BF3KS and a molecular weight of 224.14 g/mol. Its IUPAC name is potassium trifluoro(pentylsulfanylmethyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(pentylsulfanylmethyl)boranuide
PubChem CID107761094
Molecular FormulaC6H13BF3KS
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Namepotassium trifluoro(pentylsulfanylmethyl)boranuide
SMILESCCCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C6H13BF3S.K/c1-2-3-4-5-11-6-7(8,9)10;/h2-6H2,1H3;/q-1;+1
InChIKeyPIAUBGZYDZBFFD-UHFFFAOYSA-N
XLogP0.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.30
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'}

Analyze potassium trifluoro(pentylsulfanylmethyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Potassium trifluoro(thian-4-yl)boranuide
CID 165991137
Butylsulfanylmethyl(trifluoro)boranuide
CID 63701834
Trifluoro(propan-2-ylsulfanylmethyl)boranuide
CID 63702357
Trifluoro(propylsulfanylmethyl)boranuide
CID 63704709
Butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704711
Trifluoro(pentylsulfanylmethyl)boranuide
CID 107761095
Trifluoro(3-methylsulfanylpropylsulfanylmethyl)boranuide
CID 133679127
Potassium butylsulfanylmethyl(trifluoro)boranuide
CID 63701833
Potassium trifluoro(propan-2-ylsulfanylmethyl)boranuide
CID 63702356
Potassium cyclohexylsulfanylmethyl(trifluoro)boranuide
CID 63702358
Potassium trifluoro(propylsulfanylmethyl)boranuide
CID 63704708
Potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704710

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(pentylsulfanylmethyl)boranuide?
The IUPAC name of potassium trifluoro(pentylsulfanylmethyl)boranuide (CID 107761094) is potassium trifluoro(pentylsulfanylmethyl)boranuide.
What is the SMILES notation for potassium trifluoro(pentylsulfanylmethyl)boranuide?
The canonical SMILES for potassium trifluoro(pentylsulfanylmethyl)boranuide is CCCCCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(pentylsulfanylmethyl)boranuide?
The InChIKey is PIAUBGZYDZBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3S.K/c1-2-3-4-5-11-6-7(8,9)10;/h2-6H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro(pentylsulfanylmethyl)boranuide?
potassium trifluoro(pentylsulfanylmethyl)boranuide has a molecular weight of 224.14 g/mol, XLogP of 0.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(pentylsulfanylmethyl)boranuide is sourced from PubChem (CID 107761094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).