potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide

C5H12BF3KNS — CID 66233710

IUPACpotassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide
SMILESCC(N)CCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H12BF3NS.K/c1-5(10)2-3-11-4-6(7,8)9;/h5H,2-4,10H2,1H3;/q-1;+1
InChIKeyQMQZWQSWWFSRAC-UHFFFAOYSA-N
MW225.13 g/mol
LogP-1.15
Rot. Bonds5

About potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide

potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide (PubChem CID 66233710) has the molecular formula C5H12BF3KNS and a molecular weight of 225.13 g/mol. Its IUPAC name is potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide
PubChem CID66233710
Molecular FormulaC5H12BF3KNS
Molecular Weight225.13 g/mol
Exact Mass225.04
IUPAC Namepotassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide
SMILESCC(N)CCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C5H12BF3NS.K/c1-5(10)2-3-11-4-6(7,8)9;/h5H,2-4,10H2,1H3;/q-1;+1
InChIKeyQMQZWQSWWFSRAC-UHFFFAOYSA-N
XLogP-1.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-aminobutylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide (CID 66233710) is potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide is CC(N)CCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is QMQZWQSWWFSRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12BF3NS.K/c1-5(10)2-3-11-4-6(7,8)9;/h5H,2-4,10H2,1H3;/q-1;+1.
What are the key properties of potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide?
potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 225.13 g/mol, XLogP of -1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-aminobutylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 66233710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).