potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide

C4H10BF3KNS — CID 66219981

IUPACpotassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide
SMILESNCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H10BF3NS.K/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;/q-1;+1
InChIKeyWLXMULOOWIYKHZ-UHFFFAOYSA-N
MW211.10 g/mol
LogP-1.54
Rot. Bonds5

About potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide

potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide (PubChem CID 66219981) has the molecular formula C4H10BF3KNS and a molecular weight of 211.10 g/mol. Its IUPAC name is potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide
PubChem CID66219981
Molecular FormulaC4H10BF3KNS
Molecular Weight211.10 g/mol
Exact Mass211.02
IUPAC Namepotassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide
SMILESNCCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C4H10BF3NS.K/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;/q-1;+1
InChIKeyWLXMULOOWIYKHZ-UHFFFAOYSA-N
XLogP-1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': '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-aminopropylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide (CID 66219981) is potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide is NCCCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is WLXMULOOWIYKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BF3NS.K/c6-5(7,8)4-10-3-1-2-9;/h1-4,9H2;/q-1;+1.
What are the key properties of potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide?
potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 211.10 g/mol, XLogP of -1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-aminopropylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 66219981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).