potassium 2-thiophen-2-ylacetate

C6H5KO2S — CID 23696799

IUPACpotassium 2-thiophen-2-ylacetate
SMILESO=C([O-])Cc1cccs1.[K+]
InChIInChI=1S/C6H6O2S.K/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H,7,8);/q;+1/p-1
InChIKeyVYQLXFDWYFQLHL-UHFFFAOYSA-M
MW180.27 g/mol
LogP-2.96
Rot. Bonds2

About potassium 2-thiophen-2-ylacetate

potassium 2-thiophen-2-ylacetate (PubChem CID 23696799) has the molecular formula C6H5KO2S and a molecular weight of 180.27 g/mol. Its IUPAC name is potassium 2-thiophen-2-ylacetate.

Molecular Properties

Compound Namepotassium 2-thiophen-2-ylacetate
PubChem CID23696799
Molecular FormulaC6H5KO2S
Molecular Weight180.27 g/mol
Exact Mass179.96
IUPAC Namepotassium 2-thiophen-2-ylacetate
SMILESO=C([O-])Cc1cccs1.[K+]
InChIInChI=1S/C6H6O2S.K/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H,7,8);/q;+1/p-1
InChIKeyVYQLXFDWYFQLHL-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 ≤ 500180.27
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thiopheneacetic acid
CID 15970
4-(2-Thienyl)Butyric Acid
CID 78386
2-Thiopheneglyoxylic acid
CID 77694
4-(2-Thienyl)butanoic acid methyl ester
CID 140766
5-(2-Thienyl)valeric acid
CID 152324
Ethyl 2-thienylacetate
CID 93657
3-(2-Thienyl)propanoic acid
CID 703169
Methyl thiophen-2-acetate
CID 88055
Methyl 3-(thiophen-2-yl)propanoate
CID 566367
2-Oxo-3-(2-thienyl)propanoic acid
CID 2049780
alpha-Methyl-2-thiopheneacetic acid
CID 3016922
2-(5-methylthiophen-2-yl)acetic Acid
CID 4527177

Frequently Asked Questions

What is the IUPAC name of potassium 2-thiophen-2-ylacetate?
The IUPAC name of potassium 2-thiophen-2-ylacetate (CID 23696799) is potassium 2-thiophen-2-ylacetate.
What is the SMILES notation for potassium 2-thiophen-2-ylacetate?
The canonical SMILES for potassium 2-thiophen-2-ylacetate is O=C([O-])Cc1cccs1.[K+].
What is the InChIKey of potassium 2-thiophen-2-ylacetate?
The InChIKey is VYQLXFDWYFQLHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2S.K/c7-6(8)4-5-2-1-3-9-5;/h1-3H,4H2,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 2-thiophen-2-ylacetate?
potassium 2-thiophen-2-ylacetate has a molecular weight of 180.27 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 potassium 2-thiophen-2-ylacetate is sourced from PubChem (CID 23696799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).