potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide

C3H8BF3KNS — CID 63704456

IUPACpotassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide
SMILESNCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C3H8BF3NS.K/c5-4(6,7)3-9-2-1-8;/h1-3,8H2;/q-1;+1
InChIKeyKVGVTXISPRSETI-UHFFFAOYSA-N
MW197.07 g/mol
LogP-1.93
Rot. Bonds4

About potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide

potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide (PubChem CID 63704456) has the molecular formula C3H8BF3KNS and a molecular weight of 197.07 g/mol. Its IUPAC name is potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide
PubChem CID63704456
Molecular FormulaC3H8BF3KNS
Molecular Weight197.07 g/mol
Exact Mass197.01
IUPAC Namepotassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide
SMILESNCCSC[B-](F)(F)F.[K+]
InChIInChI=1S/C3H8BF3NS.K/c5-4(6,7)3-9-2-1-8;/h1-3,8H2;/q-1;+1
InChIKeyKVGVTXISPRSETI-UHFFFAOYSA-N
XLogP-1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.07
LogP ≤ 5-1.93
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 2-aminoethylsulfanylmethyl(trifluoro)boranuide?
The IUPAC name of potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide (CID 63704456) is potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide.
What is the SMILES notation for potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide?
The canonical SMILES for potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide is NCCSC[B-](F)(F)F.[K+].
What is the InChIKey of potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide?
The InChIKey is KVGVTXISPRSETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8BF3NS.K/c5-4(6,7)3-9-2-1-8;/h1-3,8H2;/q-1;+1.
What are the key properties of potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide?
potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide has a molecular weight of 197.07 g/mol, XLogP of -1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-aminoethylsulfanylmethyl(trifluoro)boranuide is sourced from PubChem (CID 63704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).