calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide

C3H10CaO4PS+ — CID 160996210

IUPACcalcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide
SMILESC[S+](C)C.O=[P+]([O-])[O-].[Ca+2].[OH-]
InChIInChI=1S/C3H9S.Ca.HO3P.H2O/c1-4(2)3;;1-4(2)3;/h1-3H3;;(H,1,2,3);1H2/q+1;+2;;/p-2
InChIKeyAZFVNJNZOKUXIW-UHFFFAOYSA-L
MW213.23 g/mol
LogP-1.70
Rot. Bonds

About calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide

calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide (PubChem CID 160996210) has the molecular formula C3H10CaO4PS+ and a molecular weight of 213.23 g/mol. Its IUPAC name is calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide.

Molecular Properties

Compound Namecalcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide
PubChem CID160996210
Molecular FormulaC3H10CaO4PS+
Molecular Weight213.23 g/mol
Exact Mass212.97
IUPAC Namecalcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide
SMILESC[S+](C)C.O=[P+]([O-])[O-].[Ca+2].[OH-]
InChIInChI=1S/C3H9S.Ca.HO3P.H2O/c1-4(2)3;;1-4(2)3;/h1-3H3;;(H,1,2,3);1H2/q+1;+2;;/p-2
InChIKeyAZFVNJNZOKUXIW-UHFFFAOYSA-L
XLogP-1.70
TPSA93.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide?
The IUPAC name of calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide (CID 160996210) is calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide.
What is the SMILES notation for calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide?
The canonical SMILES for calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide is C[S+](C)C.O=[P+]([O-])[O-].[Ca+2].[OH-].
What is the InChIKey of calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide?
The InChIKey is AZFVNJNZOKUXIW-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H9S.Ca.HO3P.H2O/c1-4(2)3;;1-4(2)3;/h1-3H3;;(H,1,2,3);1H2/q+1;+2;;/p-2.
What are the key properties of calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide?
calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide has a molecular weight of 213.23 g/mol, XLogP of -1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;dioxido(oxo)phosphanium;trimethylsulfanium;hydroxide is sourced from PubChem (CID 160996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).