sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane

C6H14NaO3PS — CID 23679317

IUPACsodium oxido-dipropoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP([O-])(=S)OCCC.[Na+]
InChIInChI=1S/C6H15O3PS.Na/c1-3-5-8-10(7,11)9-6-4-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1
InChIKeyUEMNSLFCPWTOQZ-UHFFFAOYSA-M
MW220.21 g/mol
LogP-1.57
Rot. Bonds6

About sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane

sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane (PubChem CID 23679317) has the molecular formula C6H14NaO3PS and a molecular weight of 220.21 g/mol. Its IUPAC name is sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namesodium oxido-dipropoxy-sulfanylidene-λ5-phosphane
PubChem CID23679317
Molecular FormulaC6H14NaO3PS
Molecular Weight220.21 g/mol
Exact Mass220.03
IUPAC Namesodium oxido-dipropoxy-sulfanylidene-λ5-phosphane
SMILESCCCOP([O-])(=S)OCCC.[Na+]
InChIInChI=1S/C6H15O3PS.Na/c1-3-5-8-10(7,11)9-6-4-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1
InChIKeyUEMNSLFCPWTOQZ-UHFFFAOYSA-M
XLogP-1.57
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 5-1.57
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-dipropoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane (CID 23679317) is sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane is CCCOP([O-])(=S)OCCC.[Na+].
What is the InChIKey of sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane?
The InChIKey is UEMNSLFCPWTOQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O3PS.Na/c1-3-5-8-10(7,11)9-6-4-2;/h3-6H2,1-2H3,(H,7,11);/q;+1/p-1.
What are the key properties of sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane?
sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane has a molecular weight of 220.21 g/mol, XLogP of -1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-dipropoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).