dihydroxyphosphinothioyl dihydrogen phosphate

H4O6P2S — CID 3080913

IUPACdihydroxyphosphinothioyl dihydrogen 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)
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-N
MW194.04 g/mol
LogP-0.70
Rot. Bonds2

About dihydroxyphosphinothioyl dihydrogen phosphate

dihydroxyphosphinothioyl dihydrogen phosphate (PubChem CID 3080913) has the molecular formula H4O6P2S and a molecular weight of 194.04 g/mol. Its IUPAC name is dihydroxyphosphinothioyl dihydrogen phosphate.

Molecular Properties

Compound Namedihydroxyphosphinothioyl dihydrogen phosphate
PubChem CID3080913
Molecular FormulaH4O6P2S
Molecular Weight194.04 g/mol
Exact Mass193.92
IUPAC Namedihydroxyphosphinothioyl dihydrogen 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)
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-N
XLogP-0.70
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrophosphoric acid
CID 1023
Hydron;phosphono phosphate
CID 173008659
Thiopyrophosphate
CID 5289158
Dihydroxyphosphinothioyl phosphono hydrogen phosphate
CID 5289416
Thiodiphosphoric acid, ion(2-)
CID 15954987
Pyrophosphorsaure
CID 16160854
Disulfanediylbis(phosphonic acid)
CID 5259841
[Hydroxy(oxido)phosphinothioyl] hydrogen phosphate
CID 164665156
Hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate
CID 164687409
Manganese;phosphonosulfanylphosphonic acid
CID 54598604
Nickel;phosphonosulfanylphosphonic acid
CID 54602233
Cobalt;phosphonosulfanylphosphonic acid
CID 54604626

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphinothioyl dihydrogen phosphate?
The IUPAC name of dihydroxyphosphinothioyl dihydrogen phosphate (CID 3080913) is dihydroxyphosphinothioyl dihydrogen phosphate.
What is the SMILES notation for dihydroxyphosphinothioyl dihydrogen phosphate?
The canonical SMILES for dihydroxyphosphinothioyl dihydrogen phosphate is O=P(O)(O)OP(O)(O)=S.
What is the InChIKey of dihydroxyphosphinothioyl dihydrogen phosphate?
The InChIKey is HWTUHTNZLQJJEV-UHFFFAOYSA-N. 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).
What are the key properties of dihydroxyphosphinothioyl dihydrogen phosphate?
dihydroxyphosphinothioyl dihydrogen phosphate has a molecular weight of 194.04 g/mol, XLogP of -0.70, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphinothioyl dihydrogen phosphate is sourced from PubChem (CID 3080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).