potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide

C4H10BF3KNS — CID 66220404

IUPACpotassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide
SMILESCC(N)CSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H10BF3NS.K/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;/q-1;+1
InChIKeyKJOHNVNGYCFYFK-UHFFFAOYSA-N
MW211.10 g/mol
LogP-1.54
Rot. Bonds4

About potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide

potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide (PubChem CID 66220404) has the molecular formula C4H10BF3KNS and a molecular weight of 211.10 g/mol. Its IUPAC name is potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide
PubChem CID66220404
Molecular FormulaC4H10BF3KNS
Molecular Weight211.10 g/mol
Exact Mass211.02
IUPAC Namepotassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide
SMILESCC(N)CSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H10BF3NS.K/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;/q-1;+1
InChIKeyKJOHNVNGYCFYFK-UHFFFAOYSA-N
XLogP-1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 5-1.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-aminopropylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide (CID 66220404) is potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide is CC(N)CSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is KJOHNVNGYCFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BF3NS.K/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;/q-1;+1.
What are the key properties of potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide?
potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 211.10 g/mol, XLogP of -1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminopropylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 66220404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).