potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide

C7H12BF3KNS — CID 56655985

IUPACpotassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCSCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NS.K/c1-7(8(9,10)11)6-12-2-4-13-5-3-12;/h1-6H2;/q-1;+1
InChIKeyPLTIDFMWPJVQDN-UHFFFAOYSA-N
MW249.15 g/mol
LogP-1.02
Rot. Bonds3

About potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide

potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide (PubChem CID 56655985) has the molecular formula C7H12BF3KNS and a molecular weight of 249.15 g/mol. Its IUPAC name is potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide
PubChem CID56655985
Molecular FormulaC7H12BF3KNS
Molecular Weight249.15 g/mol
Exact Mass249.04
IUPAC Namepotassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide
SMILESC=C(CN1CCSCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C7H12BF3NS.K/c1-7(8(9,10)11)6-12-2-4-13-5-3-12;/h1-6H2;/q-1;+1
InChIKeyPLTIDFMWPJVQDN-UHFFFAOYSA-N
XLogP-1.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
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 trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide?
The IUPAC name of potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide (CID 56655985) is potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide?
The canonical SMILES for potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide is C=C(CN1CCSCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide?
The InChIKey is PLTIDFMWPJVQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BF3NS.K/c1-7(8(9,10)11)6-12-2-4-13-5-3-12;/h1-6H2;/q-1;+1.
What are the key properties of potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide?
potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide has a molecular weight of 249.15 g/mol, XLogP of -1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-thiomorpholin-4-ylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 56655985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).