acetic acid;guanidine;phenyl thiohypofluorite

C9H14FN3O2S — CID 174475552

IUPACacetic acid;guanidine;phenyl thiohypofluorite
SMILESCC(=O)O.FSc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C6H5FS.C2H4O2.CH5N3/c7-8-6-4-2-1-3-5-6;1-2(3)4;2-1(3)4/h1-5H;1H3,(H,3,4);(H5,2,3,4)
InChIKeyXSCQCVFKQAAFHC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.59
Rot. Bonds1

About acetic acid;guanidine;phenyl thiohypofluorite

acetic acid;guanidine;phenyl thiohypofluorite (PubChem CID 174475552) has the molecular formula C9H14FN3O2S and a molecular weight of 247.30 g/mol. Its IUPAC name is acetic acid;guanidine;phenyl thiohypofluorite.

Molecular Properties

Compound Nameacetic acid;guanidine;phenyl thiohypofluorite
PubChem CID174475552
Molecular FormulaC9H14FN3O2S
Molecular Weight247.30 g/mol
Exact Mass247.08
IUPAC Nameacetic acid;guanidine;phenyl thiohypofluorite
SMILESCC(=O)O.FSc1ccccc1.[H]N=C(N)N
InChIInChI=1S/C6H5FS.C2H4O2.CH5N3/c7-8-6-4-2-1-3-5-6;1-2(3)4;2-1(3)4/h1-5H;1H3,(H,3,4);(H5,2,3,4)
InChIKeyXSCQCVFKQAAFHC-UHFFFAOYSA-N
XLogP1.59
TPSA113.19 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;guanidine;phenyl thiohypofluorite?
The IUPAC name of acetic acid;guanidine;phenyl thiohypofluorite (CID 174475552) is acetic acid;guanidine;phenyl thiohypofluorite.
What is the SMILES notation for acetic acid;guanidine;phenyl thiohypofluorite?
The canonical SMILES for acetic acid;guanidine;phenyl thiohypofluorite is CC(=O)O.FSc1ccccc1.[H]N=C(N)N.
What is the InChIKey of acetic acid;guanidine;phenyl thiohypofluorite?
The InChIKey is XSCQCVFKQAAFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FS.C2H4O2.CH5N3/c7-8-6-4-2-1-3-5-6;1-2(3)4;2-1(3)4/h1-5H;1H3,(H,3,4);(H5,2,3,4).
What are the key properties of acetic acid;guanidine;phenyl thiohypofluorite?
acetic acid;guanidine;phenyl thiohypofluorite has a molecular weight of 247.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;guanidine;phenyl thiohypofluorite is sourced from PubChem (CID 174475552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).