sodium 2-thiophen-3-ylacetate

C6H5NaO2S — CID 23679221

IUPACsodium 2-thiophen-3-ylacetate
SMILESO=C([O-])Cc1ccsc1.[Na+]
InChIInChI=1S/C6H6O2S.Na/c7-6(8)3-5-1-2-9-4-5;/h1-2,4H,3H2,(H,7,8);/q;+1/p-1
InChIKeyOGOAIZAVJQMMGQ-UHFFFAOYSA-M
MW164.16 g/mol
LogP-2.96
Rot. Bonds2

About sodium 2-thiophen-3-ylacetate

sodium 2-thiophen-3-ylacetate (PubChem CID 23679221) has the molecular formula C6H5NaO2S and a molecular weight of 164.16 g/mol. Its IUPAC name is sodium 2-thiophen-3-ylacetate.

Molecular Properties

Compound Namesodium 2-thiophen-3-ylacetate
PubChem CID23679221
Molecular FormulaC6H5NaO2S
Molecular Weight164.16 g/mol
Exact Mass163.99
IUPAC Namesodium 2-thiophen-3-ylacetate
SMILESO=C([O-])Cc1ccsc1.[Na+]
InChIInChI=1S/C6H6O2S.Na/c7-6(8)3-5-1-2-9-4-5;/h1-2,4H,3H2,(H,7,8);/q;+1/p-1
InChIKeyOGOAIZAVJQMMGQ-UHFFFAOYSA-M
XLogP-2.96
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2-thiophen-3-ylacetate?
The IUPAC name of sodium 2-thiophen-3-ylacetate (CID 23679221) is sodium 2-thiophen-3-ylacetate.
What is the SMILES notation for sodium 2-thiophen-3-ylacetate?
The canonical SMILES for sodium 2-thiophen-3-ylacetate is O=C([O-])Cc1ccsc1.[Na+].
What is the InChIKey of sodium 2-thiophen-3-ylacetate?
The InChIKey is OGOAIZAVJQMMGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S.Na/c7-6(8)3-5-1-2-9-4-5;/h1-2,4H,3H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-thiophen-3-ylacetate?
sodium 2-thiophen-3-ylacetate has a molecular weight of 164.16 g/mol, XLogP of -2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-thiophen-3-ylacetate is sourced from PubChem (CID 23679221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).