[hydroxy(oxido)phosphinothioyl] hydrogen phosphate

H2O6P2S-2 — CID 164665156

IUPAC[hydroxy(oxido)phosphinothioyl] hydrogen phosphate
SMILESO=P([O-])(O)OP([O-])(O)=S
InChIInChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-2
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-L
MW192.02 g/mol
LogP-1.96
Rot. Bonds2

About [hydroxy(oxido)phosphinothioyl] hydrogen phosphate

[hydroxy(oxido)phosphinothioyl] hydrogen phosphate (PubChem CID 164665156) has the molecular formula H2O6P2S-2 and a molecular weight of 192.02 g/mol. Its IUPAC name is [hydroxy(oxido)phosphinothioyl] hydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(oxido)phosphinothioyl] hydrogen phosphate
PubChem CID164665156
Molecular FormulaH2O6P2S-2
Molecular Weight192.02 g/mol
Exact Mass191.91
IUPAC Name[hydroxy(oxido)phosphinothioyl] hydrogen phosphate
SMILESO=P([O-])(O)OP([O-])(O)=S
InChIInChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-2
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-L
XLogP-1.96
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.02
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(oxido)phosphinothioyl] hydrogen phosphate?
The IUPAC name of [hydroxy(oxido)phosphinothioyl] hydrogen phosphate (CID 164665156) is [hydroxy(oxido)phosphinothioyl] hydrogen phosphate.
What is the SMILES notation for [hydroxy(oxido)phosphinothioyl] hydrogen phosphate?
The canonical SMILES for [hydroxy(oxido)phosphinothioyl] hydrogen phosphate is O=P([O-])(O)OP([O-])(O)=S.
What is the InChIKey of [hydroxy(oxido)phosphinothioyl] hydrogen phosphate?
The InChIKey is HWTUHTNZLQJJEV-UHFFFAOYSA-L. The full InChI is InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-2.
What are the key properties of [hydroxy(oxido)phosphinothioyl] hydrogen phosphate?
[hydroxy(oxido)phosphinothioyl] hydrogen phosphate has a molecular weight of 192.02 g/mol, XLogP of -1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphinothioyl] hydrogen phosphate is sourced from PubChem (CID 164665156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).