dioxidophosphinothioyl dihydrogen phosphate

H2O6P2S-2 — CID 15954987

IUPACdioxidophosphinothioyl 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)/p-2
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-L
MW192.02 g/mol
LogP-1.96
Rot. Bonds2

About dioxidophosphinothioyl dihydrogen phosphate

dioxidophosphinothioyl dihydrogen phosphate (PubChem CID 15954987) has the molecular formula H2O6P2S-2 and a molecular weight of 192.02 g/mol. Its IUPAC name is dioxidophosphinothioyl dihydrogen phosphate.

Molecular Properties

Compound Namedioxidophosphinothioyl dihydrogen phosphate
PubChem CID15954987
Molecular FormulaH2O6P2S-2
Molecular Weight192.02 g/mol
Exact Mass191.91
IUPAC Namedioxidophosphinothioyl 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)/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 dioxidophosphinothioyl dihydrogen phosphate?
The IUPAC name of dioxidophosphinothioyl dihydrogen phosphate (CID 15954987) is dioxidophosphinothioyl dihydrogen phosphate.
What is the SMILES notation for dioxidophosphinothioyl dihydrogen phosphate?
The canonical SMILES for dioxidophosphinothioyl dihydrogen phosphate is O=P(O)(O)OP([O-])([O-])=S.
What is the InChIKey of dioxidophosphinothioyl dihydrogen 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 dioxidophosphinothioyl dihydrogen phosphate?
dioxidophosphinothioyl dihydrogen 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 dioxidophosphinothioyl dihydrogen phosphate is sourced from PubChem (CID 15954987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).