sodium;ethenyl 2-sulfanylacetate;hydride

C4H7NaO2S — CID 173144862

IUPACsodium;ethenyl 2-sulfanylacetate;hydride
SMILESC=COC(=O)CS.[H-].[Na+]
InChIInChI=1S/C4H6O2S.Na.H/c1-2-6-4(5)3-7;;/h2,7H,1,3H2;;/q;+1;-1
InChIKeyXCDYMMLCGSZLQG-UHFFFAOYSA-N
MW142.15 g/mol
LogP-2.28
Rot. Bonds2

About sodium;ethenyl 2-sulfanylacetate;hydride

sodium;ethenyl 2-sulfanylacetate;hydride (PubChem CID 173144862) has the molecular formula C4H7NaO2S and a molecular weight of 142.15 g/mol. Its IUPAC name is sodium;ethenyl 2-sulfanylacetate;hydride.

Molecular Properties

Compound Namesodium;ethenyl 2-sulfanylacetate;hydride
PubChem CID173144862
Molecular FormulaC4H7NaO2S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Namesodium;ethenyl 2-sulfanylacetate;hydride
SMILESC=COC(=O)CS.[H-].[Na+]
InChIInChI=1S/C4H6O2S.Na.H/c1-2-6-4(5)3-7;;/h2,7H,1,3H2;;/q;+1;-1
InChIKeyXCDYMMLCGSZLQG-UHFFFAOYSA-N
XLogP-2.28
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-2.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;ethenyl 2-sulfanylacetate;hydride?
The IUPAC name of sodium;ethenyl 2-sulfanylacetate;hydride (CID 173144862) is sodium;ethenyl 2-sulfanylacetate;hydride.
What is the SMILES notation for sodium;ethenyl 2-sulfanylacetate;hydride?
The canonical SMILES for sodium;ethenyl 2-sulfanylacetate;hydride is C=COC(=O)CS.[H-].[Na+].
What is the InChIKey of sodium;ethenyl 2-sulfanylacetate;hydride?
The InChIKey is XCDYMMLCGSZLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2S.Na.H/c1-2-6-4(5)3-7;;/h2,7H,1,3H2;;/q;+1;-1.
What are the key properties of sodium;ethenyl 2-sulfanylacetate;hydride?
sodium;ethenyl 2-sulfanylacetate;hydride has a molecular weight of 142.15 g/mol, XLogP of -2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenyl 2-sulfanylacetate;hydride is sourced from PubChem (CID 173144862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).