sodium;carbanide;oxolane;sulfurothioic O-acid

C5H13NaO4S2 — CID 174944839

IUPACsodium;carbanide;oxolane;sulfurothioic O-acid
SMILESC1CCOC1.O=S(O)(O)=S.[CH3-].[Na+]
InChIInChI=1S/C4H8O.CH3.Na.H2O3S2/c1-2-4-5-3-1;;;1-5(2,3)4/h1-4H2;1H3;;(H2,1,2,3,4)/q;-1;+1;
InChIKeyAUOAAJWALOMRJM-UHFFFAOYSA-N
MW224.28 g/mol
LogP-2.07
Rot. Bonds

About sodium;carbanide;oxolane;sulfurothioic O-acid

sodium;carbanide;oxolane;sulfurothioic O-acid (PubChem CID 174944839) has the molecular formula C5H13NaO4S2 and a molecular weight of 224.28 g/mol. Its IUPAC name is sodium;carbanide;oxolane;sulfurothioic O-acid.

Molecular Properties

Compound Namesodium;carbanide;oxolane;sulfurothioic O-acid
PubChem CID174944839
Molecular FormulaC5H13NaO4S2
Molecular Weight224.28 g/mol
Exact Mass224.02
IUPAC Namesodium;carbanide;oxolane;sulfurothioic O-acid
SMILESC1CCOC1.O=S(O)(O)=S.[CH3-].[Na+]
InChIInChI=1S/C4H8O.CH3.Na.H2O3S2/c1-2-4-5-3-1;;;1-5(2,3)4/h1-4H2;1H3;;(H2,1,2,3,4)/q;-1;+1;
InChIKeyAUOAAJWALOMRJM-UHFFFAOYSA-N
XLogP-2.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;oxolane;sulfurothioic O-acid?
The IUPAC name of sodium;carbanide;oxolane;sulfurothioic O-acid (CID 174944839) is sodium;carbanide;oxolane;sulfurothioic O-acid.
What is the SMILES notation for sodium;carbanide;oxolane;sulfurothioic O-acid?
The canonical SMILES for sodium;carbanide;oxolane;sulfurothioic O-acid is C1CCOC1.O=S(O)(O)=S.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;oxolane;sulfurothioic O-acid?
The InChIKey is AUOAAJWALOMRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH3.Na.H2O3S2/c1-2-4-5-3-1;;;1-5(2,3)4/h1-4H2;1H3;;(H2,1,2,3,4)/q;-1;+1;.
What are the key properties of sodium;carbanide;oxolane;sulfurothioic O-acid?
sodium;carbanide;oxolane;sulfurothioic O-acid has a molecular weight of 224.28 g/mol, XLogP of -2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;oxolane;sulfurothioic O-acid is sourced from PubChem (CID 174944839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).