phosphanyl(thiophosphoroso)borinic acid

H3BOP2S — CID 170522013

IUPACphosphanyl(thiophosphoroso)borinic acid
SMILESOB(P)P=S
InChIInChI=1S/BH3OP2S/c2-1(3)4-5/h2H,3H2
InChIKeyJGPFZMINHAAYLR-UHFFFAOYSA-N
MW123.85 g/mol
LogP0.25
Rot. Bonds1

About phosphanyl(thiophosphoroso)borinic acid

phosphanyl(thiophosphoroso)borinic acid (PubChem CID 170522013) has the molecular formula H3BOP2S and a molecular weight of 123.85 g/mol. Its IUPAC name is phosphanyl(thiophosphoroso)borinic acid.

Molecular Properties

Compound Namephosphanyl(thiophosphoroso)borinic acid
PubChem CID170522013
Molecular FormulaH3BOP2S
Molecular Weight123.85 g/mol
Exact Mass123.95
IUPAC Namephosphanyl(thiophosphoroso)borinic acid
SMILESOB(P)P=S
InChIInChI=1S/BH3OP2S/c2-1(3)4-5/h2H,3H2
InChIKeyJGPFZMINHAAYLR-UHFFFAOYSA-N
XLogP0.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.85
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 phosphanyl(thiophosphoroso)borinic acid?
The IUPAC name of phosphanyl(thiophosphoroso)borinic acid (CID 170522013) is phosphanyl(thiophosphoroso)borinic acid.
What is the SMILES notation for phosphanyl(thiophosphoroso)borinic acid?
The canonical SMILES for phosphanyl(thiophosphoroso)borinic acid is OB(P)P=S.
What is the InChIKey of phosphanyl(thiophosphoroso)borinic acid?
The InChIKey is JGPFZMINHAAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3OP2S/c2-1(3)4-5/h2H,3H2.
What are the key properties of phosphanyl(thiophosphoroso)borinic acid?
phosphanyl(thiophosphoroso)borinic acid has a molecular weight of 123.85 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl(thiophosphoroso)borinic acid is sourced from PubChem (CID 170522013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).