disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate

C6H12NNa2O5PS2 — CID 69298795

IUPACdisodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate
SMILESO=P([O-])(CCCN1CCCS1(=O)=O)O[S-].[Na+].[Na+]
InChIInChI=1S/C6H14NO5PS2.2Na/c8-13(9,12-14)5-1-3-7-4-2-6-15(7,10)11;;/h14H,1-6H2,(H,8,9);;/q;2*+1/p-2
InChIKeyHXNILFWCYFNVBZ-UHFFFAOYSA-L
MW319.25 g/mol
LogP-6.55
Rot. Bonds5

About disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate

disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate (PubChem CID 69298795) has the molecular formula C6H12NNa2O5PS2 and a molecular weight of 319.25 g/mol. Its IUPAC name is disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate.

Molecular Properties

Compound Namedisodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate
PubChem CID69298795
Molecular FormulaC6H12NNa2O5PS2
Molecular Weight319.25 g/mol
Exact Mass318.97
IUPAC Namedisodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate
SMILESO=P([O-])(CCCN1CCCS1(=O)=O)O[S-].[Na+].[Na+]
InChIInChI=1S/C6H14NO5PS2.2Na/c8-13(9,12-14)5-1-3-7-4-2-6-15(7,10)11;;/h14H,1-6H2,(H,8,9);;/q;2*+1/p-2
InChIKeyHXNILFWCYFNVBZ-UHFFFAOYSA-L
XLogP-6.55
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 5-6.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate?
The IUPAC name of disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate (CID 69298795) is disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate.
What is the SMILES notation for disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate?
The canonical SMILES for disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate is O=P([O-])(CCCN1CCCS1(=O)=O)O[S-].[Na+].[Na+].
What is the InChIKey of disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate?
The InChIKey is HXNILFWCYFNVBZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14NO5PS2.2Na/c8-13(9,12-14)5-1-3-7-4-2-6-15(7,10)11;;/h14H,1-6H2,(H,8,9);;/q;2*+1/p-2.
What are the key properties of disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate?
disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate has a molecular weight of 319.25 g/mol, XLogP of -6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3-(1,1-dioxo-1,2-thiazolidin-2-yl)propyl-sulfidooxyphosphinate is sourced from PubChem (CID 69298795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).