diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium

C7H16NO4PS — CID 54723364

IUPACdiethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium
SMILESC=[N+]([CH-]OC)OP(=S)(OCC)OCC
InChIInChI=1S/C7H16NO4PS/c1-5-10-13(14,11-6-2)12-8(3)7-9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyLSOSDRMVDIKAEM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.69
Rot. Bonds8

About diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium

diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium (PubChem CID 54723364) has the molecular formula C7H16NO4PS and a molecular weight of 241.25 g/mol. Its IUPAC name is diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium.

Molecular Properties

Compound Namediethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium
PubChem CID54723364
Molecular FormulaC7H16NO4PS
Molecular Weight241.25 g/mol
Exact Mass241.05
IUPAC Namediethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium
SMILESC=[N+]([CH-]OC)OP(=S)(OCC)OCC
InChIInChI=1S/C7H16NO4PS/c1-5-10-13(14,11-6-2)12-8(3)7-9-4/h7H,3,5-6H2,1-2,4H3
InChIKeyLSOSDRMVDIKAEM-UHFFFAOYSA-N
XLogP1.69
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 53297399
[amino(methoxy)phosphinothioyl]oxyethane
CID 14091505
[chlorooxy(ethoxy)phosphinothioyl] hypochlorite
CID 20976777
acetonitrile;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 88652694
diethoxy-sulfanylidene-(trimethylsilylmethoxy)-λ5-phosphane
CID 164728460
benzene-1,4-diol;diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane
CID 21247290
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;ethyl hexyl hydrogen phosphate;zinc
CID 88510705
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
CID 3063122
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium?
The IUPAC name of diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium (CID 54723364) is diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium.
What is the SMILES notation for diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium?
The canonical SMILES for diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium is C=[N+]([CH-]OC)OP(=S)(OCC)OCC.
What is the InChIKey of diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium?
The InChIKey is LSOSDRMVDIKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO4PS/c1-5-10-13(14,11-6-2)12-8(3)7-9-4/h7H,3,5-6H2,1-2,4H3.
What are the key properties of diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium?
diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium has a molecular weight of 241.25 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioyloxy-(methoxymethyl)-methylideneazanium is sourced from PubChem (CID 54723364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).