disulfanylphosphonic acid

H3O3PS2 — CID 21331705

IUPACdisulfanylphosphonic acid
SMILESO=P(O)(O)SS
InChIInChI=1S/H3O3PS2/c1-4(2,3)6-5/h5H,(H2,1,2,3)
InChIKeyBWFDMMNGXPZZMD-UHFFFAOYSA-N
MW146.13 g/mol
LogP0.66
Rot. Bonds1

About disulfanylphosphonic acid

disulfanylphosphonic acid (PubChem CID 21331705) has the molecular formula H3O3PS2 and a molecular weight of 146.13 g/mol. Its IUPAC name is disulfanylphosphonic acid.

Molecular Properties

Compound Namedisulfanylphosphonic acid
PubChem CID21331705
Molecular FormulaH3O3PS2
Molecular Weight146.13 g/mol
Exact Mass145.93
IUPAC Namedisulfanylphosphonic acid
SMILESO=P(O)(O)SS
InChIInChI=1S/H3O3PS2/c1-4(2,3)6-5/h5H,(H2,1,2,3)
InChIKeyBWFDMMNGXPZZMD-UHFFFAOYSA-N
XLogP0.66
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disulfanylphosphonic acid?
The IUPAC name of disulfanylphosphonic acid (CID 21331705) is disulfanylphosphonic acid.
What is the SMILES notation for disulfanylphosphonic acid?
The canonical SMILES for disulfanylphosphonic acid is O=P(O)(O)SS.
What is the InChIKey of disulfanylphosphonic acid?
The InChIKey is BWFDMMNGXPZZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O3PS2/c1-4(2,3)6-5/h5H,(H2,1,2,3).
What are the key properties of disulfanylphosphonic acid?
disulfanylphosphonic acid has a molecular weight of 146.13 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylphosphonic acid is sourced from PubChem (CID 21331705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).