[oxido(sulfido)phosphinothioyl] dihydrogen phosphate

H2O5P2S2-2 — CID 15954988

IUPAC[oxido(sulfido)phosphinothioyl] dihydrogen phosphate
SMILESO=P(O)(O)OP([O-])(=S)[S-]
InChIInChI=1S/H4O5P2S2/c1-6(2,3)5-7(4,8)9/h(H2,1,2,3)(H2,4,8,9)/p-2
InChIKeyOZQGKWOGOZMTOM-UHFFFAOYSA-L
MW208.09 g/mol
LogP-0.77
Rot. Bonds2

About [oxido(sulfido)phosphinothioyl] dihydrogen phosphate

[oxido(sulfido)phosphinothioyl] dihydrogen phosphate (PubChem CID 15954988) has the molecular formula H2O5P2S2-2 and a molecular weight of 208.09 g/mol. Its IUPAC name is [oxido(sulfido)phosphinothioyl] dihydrogen phosphate.

Molecular Properties

Compound Name[oxido(sulfido)phosphinothioyl] dihydrogen phosphate
PubChem CID15954988
Molecular FormulaH2O5P2S2-2
Molecular Weight208.09 g/mol
Exact Mass207.88
IUPAC Name[oxido(sulfido)phosphinothioyl] dihydrogen phosphate
SMILESO=P(O)(O)OP([O-])(=S)[S-]
InChIInChI=1S/H4O5P2S2/c1-6(2,3)5-7(4,8)9/h(H2,1,2,3)(H2,4,8,9)/p-2
InChIKeyOZQGKWOGOZMTOM-UHFFFAOYSA-L
XLogP-0.77
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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copper;phosphono hydrogen phosphate;chloride
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sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
dihydroxyphosphinothioyl phosphono hydrogen phosphate
CID 5289416

Frequently Asked Questions

What is the IUPAC name of [oxido(sulfido)phosphinothioyl] dihydrogen phosphate?
The IUPAC name of [oxido(sulfido)phosphinothioyl] dihydrogen phosphate (CID 15954988) is [oxido(sulfido)phosphinothioyl] dihydrogen phosphate.
What is the SMILES notation for [oxido(sulfido)phosphinothioyl] dihydrogen phosphate?
The canonical SMILES for [oxido(sulfido)phosphinothioyl] dihydrogen phosphate is O=P(O)(O)OP([O-])(=S)[S-].
What is the InChIKey of [oxido(sulfido)phosphinothioyl] dihydrogen phosphate?
The InChIKey is OZQGKWOGOZMTOM-UHFFFAOYSA-L. The full InChI is InChI=1S/H4O5P2S2/c1-6(2,3)5-7(4,8)9/h(H2,1,2,3)(H2,4,8,9)/p-2.
What are the key properties of [oxido(sulfido)phosphinothioyl] dihydrogen phosphate?
[oxido(sulfido)phosphinothioyl] dihydrogen phosphate has a molecular weight of 208.09 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido(sulfido)phosphinothioyl] dihydrogen phosphate is sourced from PubChem (CID 15954988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).