diethyl hydrogen phosphate;sulfane

C4H15O4PS2 — CID 88774651

IUPACdiethyl hydrogen phosphate;sulfane
SMILESCCOP(=O)(O)OCC.S.S
InChIInChI=1S/C4H11O4P.2H2S/c1-3-7-9(5,6)8-4-2;;/h3-4H2,1-2H3,(H,5,6);2*1H2
InChIKeyQDPKPLQIOXPLOV-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.39
Rot. Bonds4

About diethyl hydrogen phosphate;sulfane

diethyl hydrogen phosphate;sulfane (PubChem CID 88774651) has the molecular formula C4H15O4PS2 and a molecular weight of 222.27 g/mol. Its IUPAC name is diethyl hydrogen phosphate;sulfane.

Molecular Properties

Compound Namediethyl hydrogen phosphate;sulfane
PubChem CID88774651
Molecular FormulaC4H15O4PS2
Molecular Weight222.27 g/mol
Exact Mass222.01
IUPAC Namediethyl hydrogen phosphate;sulfane
SMILESCCOP(=O)(O)OCC.S.S
InChIInChI=1S/C4H11O4P.2H2S/c1-3-7-9(5,6)8-4-2;;/h3-4H2,1-2H3,(H,5,6);2*1H2
InChIKeyQDPKPLQIOXPLOV-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of diethyl hydrogen phosphate;sulfane?
The IUPAC name of diethyl hydrogen phosphate;sulfane (CID 88774651) is diethyl hydrogen phosphate;sulfane.
What is the SMILES notation for diethyl hydrogen phosphate;sulfane?
The canonical SMILES for diethyl hydrogen phosphate;sulfane is CCOP(=O)(O)OCC.S.S.
What is the InChIKey of diethyl hydrogen phosphate;sulfane?
The InChIKey is QDPKPLQIOXPLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.2H2S/c1-3-7-9(5,6)8-4-2;;/h3-4H2,1-2H3,(H,5,6);2*1H2.
What are the key properties of diethyl hydrogen phosphate;sulfane?
diethyl hydrogen phosphate;sulfane has a molecular weight of 222.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl hydrogen phosphate;sulfane is sourced from PubChem (CID 88774651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).