diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc

C10H14NO5PSZn — CID 135125865

IUPACdiethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
SMILESCCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.[Zn]
InChIInChI=1S/C10H14NO5PS.Zn/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;/h5-8H,3-4H2,1-2H3;
InChIKeyGJKSLNLCCZNRQD-UHFFFAOYSA-N
MW356.66 g/mol
LogP3.27
Rot. Bonds7

About diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc

diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc (PubChem CID 135125865) has the molecular formula C10H14NO5PSZn and a molecular weight of 356.66 g/mol. Its IUPAC name is diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namediethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
PubChem CID135125865
Molecular FormulaC10H14NO5PSZn
Molecular Weight356.66 g/mol
Exact Mass354.96
IUPAC Namediethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc
SMILESCCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.[Zn]
InChIInChI=1S/C10H14NO5PS.Zn/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;/h5-8H,3-4H2,1-2H3;
InChIKeyGJKSLNLCCZNRQD-UHFFFAOYSA-N
XLogP3.27
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy-[2-[ethoxy-(4-nitrophenoxy)phosphinothioyl]ethyl]-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 23412936
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
CID 56842438
[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
1-[ethyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 23274934
1-[2-azidoethyl(ethoxy)phosphoryl]oxy-4-nitrobenzene
CID 24806191
1-[ethyl-(4-nitrophenoxy)phosphoryl]oxy-4-methylbenzene
CID 89083365
(4-nitrophenyl) phosphate
CID 4686862
bis(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
CID 13048547
didecyl (4-nitrophenyl) phosphate
CID 71347067
1-[ethyl(2-fluoroethoxy)phosphoryl]oxy-4-nitrobenzene
CID 71579906
1-[butyl(propoxy)phosphoryl]oxy-4-nitrobenzene
CID 91735345

Frequently Asked Questions

What is the IUPAC name of diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc (CID 135125865) is diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc is CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.[Zn].
What is the InChIKey of diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is GJKSLNLCCZNRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5PS.Zn/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13;/h5-8H,3-4H2,1-2H3;.
What are the key properties of diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc?
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 356.66 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 135125865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).