zinc;hydrogen phosphate;1-(propyldisulfanyl)propane

C6H15O4PS2Zn — CID 174694576

IUPACzinc;hydrogen phosphate;1-(propyldisulfanyl)propane
SMILESCCCSSCCC.O=P([O-])([O-])O.[Zn+2]
InChIInChI=1S/C6H14S2.H3O4P.Zn/c1-3-5-7-8-6-4-2;1-5(2,3)4;/h3-6H2,1-2H3;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyOZAOYPDUJDDFMW-UHFFFAOYSA-L
MW311.68 g/mol
LogP0.99
Rot. Bonds5

About zinc;hydrogen phosphate;1-(propyldisulfanyl)propane

zinc;hydrogen phosphate;1-(propyldisulfanyl)propane (PubChem CID 174694576) has the molecular formula C6H15O4PS2Zn and a molecular weight of 311.68 g/mol. Its IUPAC name is zinc;hydrogen phosphate;1-(propyldisulfanyl)propane.

Molecular Properties

Compound Namezinc;hydrogen phosphate;1-(propyldisulfanyl)propane
PubChem CID174694576
Molecular FormulaC6H15O4PS2Zn
Molecular Weight311.68 g/mol
Exact Mass309.94
IUPAC Namezinc;hydrogen phosphate;1-(propyldisulfanyl)propane
SMILESCCCSSCCC.O=P([O-])([O-])O.[Zn+2]
InChIInChI=1S/C6H14S2.H3O4P.Zn/c1-3-5-7-8-6-4-2;1-5(2,3)4;/h3-6H2,1-2H3;(H3,1,2,3,4);/q;;+2/p-2
InChIKeyOZAOYPDUJDDFMW-UHFFFAOYSA-L
XLogP0.99
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
sodium hydroxy(propylsulfanylcarbonyl)phosphinate
CID 23676696
2-(propyldisulfanyl)ethanol
CID 11977395
disodium;dodecane;hydrogen phosphate;hydrate
CID 172768251
aluminum;zinc;hydrogen phosphate;phosphate
CID 159394914
trisodium;hydrogen phosphate;methanolate
CID 174908769
dihydrogen phosphate;triethyl(prop-2-enyl)azanium
CID 173387708
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
potassium;dihydrogen phosphate;ethanol
CID 160928957
bis(chromium(3+));hydrogen phosphate
CID 19708255
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
zinc bis(dihydrogen phosphate)
CID 11253952

Frequently Asked Questions

What is the IUPAC name of zinc;hydrogen phosphate;1-(propyldisulfanyl)propane?
The IUPAC name of zinc;hydrogen phosphate;1-(propyldisulfanyl)propane (CID 174694576) is zinc;hydrogen phosphate;1-(propyldisulfanyl)propane.
What is the SMILES notation for zinc;hydrogen phosphate;1-(propyldisulfanyl)propane?
The canonical SMILES for zinc;hydrogen phosphate;1-(propyldisulfanyl)propane is CCCSSCCC.O=P([O-])([O-])O.[Zn+2].
What is the InChIKey of zinc;hydrogen phosphate;1-(propyldisulfanyl)propane?
The InChIKey is OZAOYPDUJDDFMW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14S2.H3O4P.Zn/c1-3-5-7-8-6-4-2;1-5(2,3)4;/h3-6H2,1-2H3;(H3,1,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;hydrogen phosphate;1-(propyldisulfanyl)propane?
zinc;hydrogen phosphate;1-(propyldisulfanyl)propane has a molecular weight of 311.68 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;hydrogen phosphate;1-(propyldisulfanyl)propane is sourced from PubChem (CID 174694576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).