sodium;phosphenic acid;propylsulfanium;hydroxide

C3H11NaO4PS+ — CID 159299520

IUPACsodium;phosphenic acid;propylsulfanium;hydroxide
SMILESCCC[SH2+].O=[P+]([O-])O.[Na+].[OH-]
InChIInChI=1S/C3H8S.Na.HO3P.H2O/c1-2-3-4;;1-4(2)3;/h4H,2-3H2,1H3;;(H,1,2,3);1H2/q;+1;;
InChIKeySGONCBQHBZXQFY-UHFFFAOYSA-N
MW197.15 g/mol
LogP-3.77
Rot. Bonds1

About sodium;phosphenic acid;propylsulfanium;hydroxide

sodium;phosphenic acid;propylsulfanium;hydroxide (PubChem CID 159299520) has the molecular formula C3H11NaO4PS+ and a molecular weight of 197.15 g/mol. Its IUPAC name is sodium;phosphenic acid;propylsulfanium;hydroxide.

Molecular Properties

Compound Namesodium;phosphenic acid;propylsulfanium;hydroxide
PubChem CID159299520
Molecular FormulaC3H11NaO4PS+
Molecular Weight197.15 g/mol
Exact Mass197.00
IUPAC Namesodium;phosphenic acid;propylsulfanium;hydroxide
SMILESCCC[SH2+].O=[P+]([O-])O.[Na+].[OH-]
InChIInChI=1S/C3H8S.Na.HO3P.H2O/c1-2-3-4;;1-4(2)3;/h4H,2-3H2,1H3;;(H,1,2,3);1H2/q;+1;;
InChIKeySGONCBQHBZXQFY-UHFFFAOYSA-N
XLogP-3.77
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-3.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethylaluminum(2+);phosphenic acid
CID 158590735
CID 158670321
CID 158670321
hydron;phosphenic acid
CID 170839114
aluminum tris(ethyl-oxido-oxophosphanium)
CID 157497203
phosphenic acid;trimethylsulfanium
CID 172730337
hydroxy-oxo-propylphosphanium;zinc
CID 87094262
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dimethylaminoazanium;phosphenic acid
CID 139088119
sodium;propan-1-ol;nitrite
CID 174896587
azane;butane;cyclobutane;dihydroxy(oxo)phosphanium
CID 67895311

Frequently Asked Questions

What is the IUPAC name of sodium;phosphenic acid;propylsulfanium;hydroxide?
The IUPAC name of sodium;phosphenic acid;propylsulfanium;hydroxide (CID 159299520) is sodium;phosphenic acid;propylsulfanium;hydroxide.
What is the SMILES notation for sodium;phosphenic acid;propylsulfanium;hydroxide?
The canonical SMILES for sodium;phosphenic acid;propylsulfanium;hydroxide is CCC[SH2+].O=[P+]([O-])O.[Na+].[OH-].
What is the InChIKey of sodium;phosphenic acid;propylsulfanium;hydroxide?
The InChIKey is SGONCBQHBZXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S.Na.HO3P.H2O/c1-2-3-4;;1-4(2)3;/h4H,2-3H2,1H3;;(H,1,2,3);1H2/q;+1;;.
What are the key properties of sodium;phosphenic acid;propylsulfanium;hydroxide?
sodium;phosphenic acid;propylsulfanium;hydroxide has a molecular weight of 197.15 g/mol, XLogP of -3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phosphenic acid;propylsulfanium;hydroxide is sourced from PubChem (CID 159299520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).