azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten

C6H16NO2PS2W-6 — CID 174799689

IUPACazanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten
SMILESC[CH-]C.C[CH-]C.[NH2-].[O-]P([O-])(=S)[S-].[W]
InChIInChI=1S/2C3H7.H2N.H3O2PS2.W/c2*1-3-2;;1-3(2,4)5;/h2*3H,1-2H3;1H2;(H3,1,2,4,5);/q3*-1;;/p-3
InChIKeyRMIMJDGUVTVGRY-UHFFFAOYSA-K
MW413.15 g/mol
LogP1.65
Rot. Bonds

About azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten

azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten (PubChem CID 174799689) has the molecular formula C6H16NO2PS2W-6 and a molecular weight of 413.15 g/mol. Its IUPAC name is azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten.

Molecular Properties

Compound Nameazanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten
PubChem CID174799689
Molecular FormulaC6H16NO2PS2W-6
Molecular Weight413.15 g/mol
Exact Mass412.99
IUPAC Nameazanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten
SMILESC[CH-]C.C[CH-]C.[NH2-].[O-]P([O-])(=S)[S-].[W]
InChIInChI=1S/2C3H7.H2N.H3O2PS2.W/c2*1-3-2;;1-3(2,4)5;/h2*3H,1-2H3;1H2;(H3,1,2,4,5);/q3*-1;;/p-3
InChIKeyRMIMJDGUVTVGRY-UHFFFAOYSA-K
XLogP1.65
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.15
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten?
The IUPAC name of azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten (CID 174799689) is azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten.
What is the SMILES notation for azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten?
The canonical SMILES for azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten is C[CH-]C.C[CH-]C.[NH2-].[O-]P([O-])(=S)[S-].[W].
What is the InChIKey of azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten?
The InChIKey is RMIMJDGUVTVGRY-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H7.H2N.H3O2PS2.W/c2*1-3-2;;1-3(2,4)5;/h2*3H,1-2H3;1H2;(H3,1,2,4,5);/q3*-1;;/p-3.
What are the key properties of azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten?
azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten has a molecular weight of 413.15 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;dioxido-sulfanylidene-sulfido-λ5-phosphane;propane;tungsten is sourced from PubChem (CID 174799689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).