azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane

C4H14NO3PS — CID 14449583

IUPACazane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)OCC.N
InChIInChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3
InChIKeyIBGKZCJDWXXWNU-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.44
Rot. Bonds4

About azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane

azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 14449583) has the molecular formula C4H14NO3PS and a molecular weight of 187.20 g/mol. Its IUPAC name is azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID14449583
Molecular FormulaC4H14NO3PS
Molecular Weight187.20 g/mol
Exact Mass187.04
IUPAC Nameazane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)OCC.N
InChIInChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3
InChIKeyIBGKZCJDWXXWNU-UHFFFAOYSA-N
XLogP1.44
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
azane;hydroxy-bis(1,1,2,2,2-pentadeuterioethoxy)-sulfanylidene-λ5-phosphane
CID 171380944
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
CID 156593652
CID 156593652

Frequently Asked Questions

What is the IUPAC name of azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane (CID 14449583) is azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane is CCOP(O)(=S)OCC.N.
What is the InChIKey of azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is IBGKZCJDWXXWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O3PS.H3N/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);1H3.
What are the key properties of azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane?
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 187.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 14449583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).