[hydroxy(oxido)phosphinothioyl] dihydrogen phosphate

H3O6P2S- — CID 5289158

IUPAC[hydroxy(oxido)phosphinothioyl] 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-1
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-M
MW193.03 g/mol
LogP-1.33
Rot. Bonds2

About [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate

[hydroxy(oxido)phosphinothioyl] dihydrogen phosphate (PubChem CID 5289158) has the molecular formula H3O6P2S- and a molecular weight of 193.03 g/mol. Its IUPAC name is [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(oxido)phosphinothioyl] dihydrogen phosphate
PubChem CID5289158
Molecular FormulaH3O6P2S-
Molecular Weight193.03 g/mol
Exact Mass192.91
IUPAC Name[hydroxy(oxido)phosphinothioyl] 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-1
InChIKeyHWTUHTNZLQJJEV-UHFFFAOYSA-M
XLogP-1.33
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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] dihydrogen phosphate?
The IUPAC name of [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate (CID 5289158) is [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate.
What is the SMILES notation for [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate?
The canonical SMILES for [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate is O=P(O)(O)OP([O-])(O)=S.
What is the InChIKey of [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate?
The InChIKey is HWTUHTNZLQJJEV-UHFFFAOYSA-M. 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-1.
What are the key properties of [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate?
[hydroxy(oxido)phosphinothioyl] dihydrogen phosphate has a molecular weight of 193.03 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(oxido)phosphinothioyl] dihydrogen phosphate is sourced from PubChem (CID 5289158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).