sodium;dimethylsulfanium;phosphenic acid;hydroxide

C2H9NaO4PS+ — CID 159783589

IUPACsodium;dimethylsulfanium;phosphenic acid;hydroxide
SMILESC[SH+]C.O=[P+]([O-])O.[Na+].[OH-]
InChIInChI=1S/C2H6S.Na.HO3P.H2O/c1-3-2;;1-4(2)3;/h1-2H3;;(H,1,2,3);1H2/q;+1;;
InChIKeyVIMDWZREGHGXLC-UHFFFAOYSA-N
MW183.12 g/mol
LogP-4.12
Rot. Bonds

About sodium;dimethylsulfanium;phosphenic acid;hydroxide

sodium;dimethylsulfanium;phosphenic acid;hydroxide (PubChem CID 159783589) has the molecular formula C2H9NaO4PS+ and a molecular weight of 183.12 g/mol. Its IUPAC name is sodium;dimethylsulfanium;phosphenic acid;hydroxide.

Molecular Properties

Compound Namesodium;dimethylsulfanium;phosphenic acid;hydroxide
PubChem CID159783589
Molecular FormulaC2H9NaO4PS+
Molecular Weight183.12 g/mol
Exact Mass182.99
IUPAC Namesodium;dimethylsulfanium;phosphenic acid;hydroxide
SMILESC[SH+]C.O=[P+]([O-])O.[Na+].[OH-]
InChIInChI=1S/C2H6S.Na.HO3P.H2O/c1-3-2;;1-4(2)3;/h1-2H3;;(H,1,2,3);1H2/q;+1;;
InChIKeyVIMDWZREGHGXLC-UHFFFAOYSA-N
XLogP-4.12
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-4.12
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;dimethylsulfanium;phosphenic acid;hydroxide?
The IUPAC name of sodium;dimethylsulfanium;phosphenic acid;hydroxide (CID 159783589) is sodium;dimethylsulfanium;phosphenic acid;hydroxide.
What is the SMILES notation for sodium;dimethylsulfanium;phosphenic acid;hydroxide?
The canonical SMILES for sodium;dimethylsulfanium;phosphenic acid;hydroxide is C[SH+]C.O=[P+]([O-])O.[Na+].[OH-].
What is the InChIKey of sodium;dimethylsulfanium;phosphenic acid;hydroxide?
The InChIKey is VIMDWZREGHGXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.Na.HO3P.H2O/c1-3-2;;1-4(2)3;/h1-2H3;;(H,1,2,3);1H2/q;+1;;.
What are the key properties of sodium;dimethylsulfanium;phosphenic acid;hydroxide?
sodium;dimethylsulfanium;phosphenic acid;hydroxide has a molecular weight of 183.12 g/mol, XLogP of -4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dimethylsulfanium;phosphenic acid;hydroxide is sourced from PubChem (CID 159783589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).