isocyanic acid;phosphane;stibane;hydrochloride

C2H9ClN2O2PSb — CID 174568483

IUPACisocyanic acid;phosphane;stibane;hydrochloride
SMILESCl.N=C=O.N=C=O.P.[SbH3]
InChIInChI=1S/2CHNO.ClH.H3P.Sb.3H/c2*2-1-3;;;;;;/h2*2H;1H;1H3;;;;
InChIKeyXEOHGIGCLSSDLB-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.90
Rot. Bonds

About isocyanic acid;phosphane;stibane;hydrochloride

isocyanic acid;phosphane;stibane;hydrochloride (PubChem CID 174568483) has the molecular formula C2H9ClN2O2PSb and a molecular weight of 281.29 g/mol. Its IUPAC name is isocyanic acid;phosphane;stibane;hydrochloride.

Molecular Properties

Compound Nameisocyanic acid;phosphane;stibane;hydrochloride
PubChem CID174568483
Molecular FormulaC2H9ClN2O2PSb
Molecular Weight281.29 g/mol
Exact Mass279.91
IUPAC Nameisocyanic acid;phosphane;stibane;hydrochloride
SMILESCl.N=C=O.N=C=O.P.[SbH3]
InChIInChI=1S/2CHNO.ClH.H3P.Sb.3H/c2*2-1-3;;;;;;/h2*2H;1H;1H3;;;;
InChIKeyXEOHGIGCLSSDLB-UHFFFAOYSA-N
XLogP-0.90
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

isocyanic acid;trihydrochloride
CID 172863898
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309
isocyanic acid;hydrate
CID 19755102
isocyanic acid;hydroiodide
CID 88505610
isocyanic acid;hydrofluoride
CID 175035145
isocyanic acid;zirconium
CID 173007129
isocyanic acid;nickel
CID 88815088
isocyanic acid;lanthanum
CID 160896504
isocyanic acid;hexahydrobromide
CID 172844137
isocyanic acid;methane
CID 173240059
hydrazine;isocyanic acid
CID 88746590

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;phosphane;stibane;hydrochloride?
The IUPAC name of isocyanic acid;phosphane;stibane;hydrochloride (CID 174568483) is isocyanic acid;phosphane;stibane;hydrochloride.
What is the SMILES notation for isocyanic acid;phosphane;stibane;hydrochloride?
The canonical SMILES for isocyanic acid;phosphane;stibane;hydrochloride is Cl.N=C=O.N=C=O.P.[SbH3].
What is the InChIKey of isocyanic acid;phosphane;stibane;hydrochloride?
The InChIKey is XEOHGIGCLSSDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.ClH.H3P.Sb.3H/c2*2-1-3;;;;;;/h2*2H;1H;1H3;;;;.
What are the key properties of isocyanic acid;phosphane;stibane;hydrochloride?
isocyanic acid;phosphane;stibane;hydrochloride has a molecular weight of 281.29 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;phosphane;stibane;hydrochloride is sourced from PubChem (CID 174568483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).