azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

C8H22NO3PS — CID 171480655

IUPACazanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])(=S)OCC(C)C.[NH4+]
InChIInChI=1S/C8H19O3PS.H3N/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);1H3
InChIKeyWVXMHKLTUIYGRP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.29
Rot. Bonds6

About azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane

azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (PubChem CID 171480655) has the molecular formula C8H22NO3PS and a molecular weight of 243.31 g/mol. Its IUPAC name is azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameazanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
PubChem CID171480655
Molecular FormulaC8H22NO3PS
Molecular Weight243.31 g/mol
Exact Mass243.11
IUPAC Nameazanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])(=S)OCC(C)C.[NH4+]
InChIInChI=1S/C8H19O3PS.H3N/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);1H3
InChIKeyWVXMHKLTUIYGRP-UHFFFAOYSA-N
XLogP2.29
TPSA78.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
2-methylpropyl phosphate
CID 22629809
zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 12504431
copper bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane)
CID 87595607
alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
CID 175017596
2-methylpropyl dipropan-2-yl phosphate
CID 10728615
methane;methylidene-tris(2-methylpropoxy)-λ5-phosphane
CID 158113780
3-methylbutoxy-(2-methylpropoxy)-sulfanylidene-sulfido-λ5-phosphane
CID 86195651
bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane
CID 153452705
cobalt(2+);tetrakis([tris(2-methylpropoxy)-λ5-phosphanylidene]oxidanium);dihydroxide
CID 5150268
[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
CID 167632290
tetrakis(3-methylbutoxy-(3-methylbutylsulfanyl)-oxido-sulfanylidene-λ5-phosphane);molybdenum(4+)
CID 140546243

Frequently Asked Questions

What is the IUPAC name of azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane (CID 171480655) is azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is CC(C)COP([O-])(=S)OCC(C)C.[NH4+].
What is the InChIKey of azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is WVXMHKLTUIYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O3PS.H3N/c1-7(2)5-10-12(9,13)11-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,9,13);1H3.
What are the key properties of azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane?
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 243.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 171480655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).