CID 59765823

BFPS+ — CID 59765823

IUPAC—
SMILES[B][P+](F)=S
InChIInChI=1S/BFPS/c1-3(2)4/q+1
InChIKeyMDRQWUHXILHRDL-UHFFFAOYSA-N
MW92.85 g/mol
LogP0.90
Rot. Bonds

About CID 59765823

CID 59765823 (PubChem CID 59765823) has the molecular formula BFPS+ and a molecular weight of 92.85 g/mol.

Molecular Properties

Compound NameCID 59765823
PubChem CID59765823
Molecular FormulaBFPS+
Molecular Weight92.85 g/mol
Exact Mass92.95
IUPAC Name—
SMILES[B][P+](F)=S
InChIInChI=1S/BFPS/c1-3(2)4/q+1
InChIKeyMDRQWUHXILHRDL-UHFFFAOYSA-N
XLogP0.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.85
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59765823?
The IUPAC name of CID 59765823 (CID 59765823) is not available.
What is the SMILES notation for CID 59765823?
The canonical SMILES for CID 59765823 is [B][P+](F)=S.
What is the InChIKey of CID 59765823?
The InChIKey is MDRQWUHXILHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/BFPS/c1-3(2)4/q+1.
What are the key properties of CID 59765823?
CID 59765823 has a molecular weight of 92.85 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59765823 is sourced from PubChem (CID 59765823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).