disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane

C4H9Na2O3PS — CID 90022851

IUPACdisodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C4H11O3PS.2Na/c1-4(2)3-7-8(5,6)9;;/h4H,3H2,1-2H3,(H2,5,6,9);;/q;2*+1/p-2
InChIKeyBJHUMOGXVBSVCL-UHFFFAOYSA-L
MW214.13 g/mol
LogP-6.39
Rot. Bonds3

About disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane

disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 90022851) has the molecular formula C4H9Na2O3PS and a molecular weight of 214.13 g/mol. Its IUPAC name is disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedisodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
PubChem CID90022851
Molecular FormulaC4H9Na2O3PS
Molecular Weight214.13 g/mol
Exact Mass213.98
IUPAC Namedisodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCC(C)COP([O-])([O-])=S.[Na+].[Na+]
InChIInChI=1S/C4H11O3PS.2Na/c1-4(2)3-7-8(5,6)9;;/h4H,3H2,1-2H3,(H2,5,6,9);;/q;2*+1/p-2
InChIKeyBJHUMOGXVBSVCL-UHFFFAOYSA-L
XLogP-6.39
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 5-6.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane (CID 90022851) is disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane is CC(C)COP([O-])([O-])=S.[Na+].[Na+].
What is the InChIKey of disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is BJHUMOGXVBSVCL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H11O3PS.2Na/c1-4(2)3-7-8(5,6)9;;/h4H,3H2,1-2H3,(H2,5,6,9);;/q;2*+1/p-2.
What are the key properties of disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane?
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 214.13 g/mol, XLogP of -6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 90022851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).