potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide

C5H11BF3KS — CID 63704710

IUPACpotassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
SMILESCCC(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-3-5(2)10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyLZPFRJYSTXLICG-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.09
Rot. Bonds4

About potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide

potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63704710) has the molecular formula C5H11BF3KS and a molecular weight of 210.11 g/mol. Its IUPAC name is potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
PubChem CID63704710
Molecular FormulaC5H11BF3KS
Molecular Weight210.11 g/mol
Exact Mass210.03
IUPAC Namepotassium butan-2-ylsulfanylmethyl(trifluoro)boranuide
SMILESCCC(C)SC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H11BF3S.K/c1-3-5(2)10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1
InChIKeyLZPFRJYSTXLICG-UHFFFAOYSA-N
XLogP-0.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butan-2-ylsulfanylmethyl(trifluoro)boranuide
CID 63704711
2-(fluoromethylsulfanyl)butane
CID 139914131
2-ethylsulfanylbutane
CID 521270
1-butan-2-ylsulfanylbutane
CID 525455
potassium trifluoro(3-methylbutylsulfanylmethyl)boranuide
CID 107761100
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide
CID 66233710
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
2-(propylsulfanylmethylsulfanyl)butane
CID 525451
2-but-2-enylsulfanylbutane
CID 72586716
2-butan-2-ylsulfanylselanylsulfanylbutane
CID 15832557

Frequently Asked Questions

What is the IUPAC name of potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide (CID 63704710) is potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide is CCC(C)SC[B-](F)(F)F.[K+].
What is the InChIKey of potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is LZPFRJYSTXLICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3S.K/c1-3-5(2)10-4-6(7,8)9;/h5H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide?
potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 210.11 g/mol, XLogP of -0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium butan-2-ylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63704710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).