sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

C6H14NaO2PS2 — CID 23715677

IUPACsodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)OP([O-])(=S)SC(C)C.[Na+]
InChIInChI=1S/C6H15O2PS2.Na/c1-5(2)8-9(7,10)11-6(3)4;/h5-6H,1-4H3,(H,7,10);/q;+1/p-1
InChIKeyRIJDNATVAMLZRB-UHFFFAOYSA-M
MW236.27 g/mol
LogP-0.86
Rot. Bonds4

About sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane

sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 23715677) has the molecular formula C6H14NaO2PS2 and a molecular weight of 236.27 g/mol. Its IUPAC name is sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID23715677
Molecular FormulaC6H14NaO2PS2
Molecular Weight236.27 g/mol
Exact Mass236.01
IUPAC Namesodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)OP([O-])(=S)SC(C)C.[Na+]
InChIInChI=1S/C6H15O2PS2.Na/c1-5(2)8-9(7,10)11-6(3)4;/h5-6H,1-4H3,(H,7,10);/q;+1/p-1
InChIKeyRIJDNATVAMLZRB-UHFFFAOYSA-M
XLogP-0.86
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.86
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 sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane (CID 23715677) is sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is CC(C)OP([O-])(=S)SC(C)C.[Na+].
What is the InChIKey of sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is RIJDNATVAMLZRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O2PS2.Na/c1-5(2)8-9(7,10)11-6(3)4;/h5-6H,1-4H3,(H,7,10);/q;+1/p-1.
What are the key properties of sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane?
sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 236.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23715677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).