potassium butylsulfanylmethyl(trifluoro)boranuide

C5H11BF3KS — CID 63701833

IUPACpotassium butylsulfanylmethyl(trifluoro)boranuide
SMILESCCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-2-3-4-10-5-6(7,8)9;/h2-5H2,1H3;/q-1;+1
InChIKeyIJSIUFGFKQTTJH-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.09
Rot. Bonds5

About potassium butylsulfanylmethyl(trifluoro)boranuide

potassium butylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63701833) has the molecular formula C5H11BF3KS and a molecular weight of 210.11 g/mol. Its IUPAC name is potassium butylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium butylsulfanylmethyl(trifluoro)boranuide
PubChem CID63701833
Molecular FormulaC5H11BF3KS
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC Namepotassium butylsulfanylmethyl(trifluoro)boranuide
SMILESCCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-2-3-4-10-5-6(7,8)9;/h2-5H2,1H3;/q-1;+1
InChIKeyIJSIUFGFKQTTJH-UHFFFAOYSA-N
XLogP-0.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.09
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 butylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium butylsulfanylmethyl(trifluoro)boranuide (CID 63701833) is potassium butylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium butylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium butylsulfanylmethyl(trifluoro)boranuide is CCCCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium butylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is IJSIUFGFKQTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3S.K/c1-2-3-4-10-5-6(7,8)9;/h2-5H2,1H3;/q-1;+1.
What are the key properties of potassium butylsulfanylmethyl(trifluoro)boranuide?
potassium butylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 210.11 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63701833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).