hydroxy-oxo-thionitrosophosphanium;hydrochloride

H2ClNO2PS+ — CID 172737914

IUPAChydroxy-oxo-thionitrosophosphanium;hydrochloride
SMILESCl.O=[P+](O)N=S
InChIInChI=1S/ClH.NO2PS/c;2-4(3)1-5/h1H;/p+1
InChIKeyHDFMJGDTGAYKCR-UHFFFAOYSA-O
MW146.52 g/mol
LogP0.79
Rot. Bonds1

About hydroxy-oxo-thionitrosophosphanium;hydrochloride

hydroxy-oxo-thionitrosophosphanium;hydrochloride (PubChem CID 172737914) has the molecular formula H2ClNO2PS+ and a molecular weight of 146.52 g/mol. Its IUPAC name is hydroxy-oxo-thionitrosophosphanium;hydrochloride.

Molecular Properties

Compound Namehydroxy-oxo-thionitrosophosphanium;hydrochloride
PubChem CID172737914
Molecular FormulaH2ClNO2PS+
Molecular Weight146.52 g/mol
Exact Mass145.92
IUPAC Namehydroxy-oxo-thionitrosophosphanium;hydrochloride
SMILESCl.O=[P+](O)N=S
InChIInChI=1S/ClH.NO2PS/c;2-4(3)1-5/h1H;/p+1
InChIKeyHDFMJGDTGAYKCR-UHFFFAOYSA-O
XLogP0.79
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.52
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;dihydrochloride
CID 172680217
dihydroxy(oxo)phosphanium;methane;dihydrochloride
CID 173320523
bis(hydroxy-methyl-oxophosphanium);methane
CID 22015086
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium
CID 174395966
hydroxy-methyl-oxophosphanium;nitroxyl
CID 90711429
bis(dihydroxy(oxo)phosphanium);technetium-99
CID 6328361
CID 172849342
CID 172849342
dihydroxy(oxo)phosphanium;samarium
CID 161079463
cadmium(2+);dihydroxy(oxo)phosphanium
CID 22506351
CID 161252103
CID 161252103
bis(dihydroxy(oxo)phosphanium);phosphane
CID 172799064
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;vanadium
CID 175840101

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-thionitrosophosphanium;hydrochloride?
The IUPAC name of hydroxy-oxo-thionitrosophosphanium;hydrochloride (CID 172737914) is hydroxy-oxo-thionitrosophosphanium;hydrochloride.
What is the SMILES notation for hydroxy-oxo-thionitrosophosphanium;hydrochloride?
The canonical SMILES for hydroxy-oxo-thionitrosophosphanium;hydrochloride is Cl.O=[P+](O)N=S.
What is the InChIKey of hydroxy-oxo-thionitrosophosphanium;hydrochloride?
The InChIKey is HDFMJGDTGAYKCR-UHFFFAOYSA-O. The full InChI is InChI=1S/ClH.NO2PS/c;2-4(3)1-5/h1H;/p+1.
What are the key properties of hydroxy-oxo-thionitrosophosphanium;hydrochloride?
hydroxy-oxo-thionitrosophosphanium;hydrochloride has a molecular weight of 146.52 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-thionitrosophosphanium;hydrochloride is sourced from PubChem (CID 172737914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).