pyrazolidin-4-yl thiohypofluorite

C3H7FN2S — CID 145440040

IUPACpyrazolidin-4-yl thiohypofluorite
SMILESFSC1CNNC1
InChIInChI=1S/C3H7FN2S/c4-7-3-1-5-6-2-3/h3,5-6H,1-2H2
InChIKeyUBFCSODUWTUNMY-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.08
Rot. Bonds1

About pyrazolidin-4-yl thiohypofluorite

pyrazolidin-4-yl thiohypofluorite (PubChem CID 145440040) has the molecular formula C3H7FN2S and a molecular weight of 122.17 g/mol. Its IUPAC name is pyrazolidin-4-yl thiohypofluorite.

Molecular Properties

Compound Namepyrazolidin-4-yl thiohypofluorite
PubChem CID145440040
Molecular FormulaC3H7FN2S
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Namepyrazolidin-4-yl thiohypofluorite
SMILESFSC1CNNC1
InChIInChI=1S/C3H7FN2S/c4-7-3-1-5-6-2-3/h3,5-6H,1-2H2
InChIKeyUBFCSODUWTUNMY-UHFFFAOYSA-N
XLogP0.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazolidin-4-yl thiohypofluorite?
The IUPAC name of pyrazolidin-4-yl thiohypofluorite (CID 145440040) is pyrazolidin-4-yl thiohypofluorite.
What is the SMILES notation for pyrazolidin-4-yl thiohypofluorite?
The canonical SMILES for pyrazolidin-4-yl thiohypofluorite is FSC1CNNC1.
What is the InChIKey of pyrazolidin-4-yl thiohypofluorite?
The InChIKey is UBFCSODUWTUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FN2S/c4-7-3-1-5-6-2-3/h3,5-6H,1-2H2.
What are the key properties of pyrazolidin-4-yl thiohypofluorite?
pyrazolidin-4-yl thiohypofluorite has a molecular weight of 122.17 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidin-4-yl thiohypofluorite is sourced from PubChem (CID 145440040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).