(phosphonodisulfanyl)phosphonic acid

H4O6P2S2 — CID 5259841

IUPAC(phosphonodisulfanyl)phosphonic acid
SMILESO=P(O)(O)SSP(=O)(O)O
InChIInChI=1S/H4O6P2S2/c1-7(2,3)9-10-8(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyQKBSYAOOLDJWIB-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.55
Rot. Bonds3

About (phosphonodisulfanyl)phosphonic acid

(phosphonodisulfanyl)phosphonic acid (PubChem CID 5259841) has the molecular formula H4O6P2S2 and a molecular weight of 226.11 g/mol. Its IUPAC name is (phosphonodisulfanyl)phosphonic acid.

Molecular Properties

Compound Name(phosphonodisulfanyl)phosphonic acid
PubChem CID5259841
Molecular FormulaH4O6P2S2
Molecular Weight226.11 g/mol
Exact Mass225.89
IUPAC Name(phosphonodisulfanyl)phosphonic acid
SMILESO=P(O)(O)SSP(=O)(O)O
InChIInChI=1S/H4O6P2S2/c1-7(2,3)9-10-8(4,5)6/h(H2,1,2,3)(H2,4,5,6)
InChIKeyQKBSYAOOLDJWIB-UHFFFAOYSA-N
XLogP0.55
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disilylsilane;phosphoric acid
CID 175945383
phosphoric acid;titanium
CID 139211571
phosphoric acid;trihydrate
CID 18988970
methane;phosphoric acid
CID 18515646
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 172840180
CID 159816390
CID 159816390
hydrogen peroxide;phosphoric acid
CID 18509931
iron;phosphoric acid
CID 174838016
CID 173050648
CID 173050648
cerium;phosphoric acid
CID 90659592
methane;phosphoric acid
CID 173400304

Frequently Asked Questions

What is the IUPAC name of (phosphonodisulfanyl)phosphonic acid?
The IUPAC name of (phosphonodisulfanyl)phosphonic acid (CID 5259841) is (phosphonodisulfanyl)phosphonic acid.
What is the SMILES notation for (phosphonodisulfanyl)phosphonic acid?
The canonical SMILES for (phosphonodisulfanyl)phosphonic acid is O=P(O)(O)SSP(=O)(O)O.
What is the InChIKey of (phosphonodisulfanyl)phosphonic acid?
The InChIKey is QKBSYAOOLDJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O6P2S2/c1-7(2,3)9-10-8(4,5)6/h(H2,1,2,3)(H2,4,5,6).
What are the key properties of (phosphonodisulfanyl)phosphonic acid?
(phosphonodisulfanyl)phosphonic acid has a molecular weight of 226.11 g/mol, XLogP of 0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (phosphonodisulfanyl)phosphonic acid is sourced from PubChem (CID 5259841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).