(phosphonomethyldisulfanyl)methylphosphonic acid

C2H8O6P2S2 — CID 86194980

IUPAC(phosphonomethyldisulfanyl)methylphosphonic acid
SMILESO=P(O)(O)CSSCP(=O)(O)O
InChIInChI=1S/C2H8O6P2S2/c3-9(4,5)1-11-12-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyAPCAAVOBFGAQFD-UHFFFAOYSA-N
MW254.16 g/mol
LogP0.64
Rot. Bonds5

About (phosphonomethyldisulfanyl)methylphosphonic acid

(phosphonomethyldisulfanyl)methylphosphonic acid (PubChem CID 86194980) has the molecular formula C2H8O6P2S2 and a molecular weight of 254.16 g/mol. Its IUPAC name is (phosphonomethyldisulfanyl)methylphosphonic acid.

Molecular Properties

Compound Name(phosphonomethyldisulfanyl)methylphosphonic acid
PubChem CID86194980
Molecular FormulaC2H8O6P2S2
Molecular Weight254.16 g/mol
Exact Mass253.92
IUPAC Name(phosphonomethyldisulfanyl)methylphosphonic acid
SMILESO=P(O)(O)CSSCP(=O)(O)O
InChIInChI=1S/C2H8O6P2S2/c3-9(4,5)1-11-12-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8)
InChIKeyAPCAAVOBFGAQFD-UHFFFAOYSA-N
XLogP0.64
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (phosphonomethyldisulfanyl)methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (phosphonomethyldisulfanyl)methylphosphonic acid?
The IUPAC name of (phosphonomethyldisulfanyl)methylphosphonic acid (CID 86194980) is (phosphonomethyldisulfanyl)methylphosphonic acid.
What is the SMILES notation for (phosphonomethyldisulfanyl)methylphosphonic acid?
The canonical SMILES for (phosphonomethyldisulfanyl)methylphosphonic acid is O=P(O)(O)CSSCP(=O)(O)O.
What is the InChIKey of (phosphonomethyldisulfanyl)methylphosphonic acid?
The InChIKey is APCAAVOBFGAQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O6P2S2/c3-9(4,5)1-11-12-2-10(6,7)8/h1-2H2,(H2,3,4,5)(H2,6,7,8).
What are the key properties of (phosphonomethyldisulfanyl)methylphosphonic acid?
(phosphonomethyldisulfanyl)methylphosphonic acid has a molecular weight of 254.16 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (phosphonomethyldisulfanyl)methylphosphonic acid is sourced from PubChem (CID 86194980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).