potassium 2-phenylsulfanylacetate

C8H7KO2S — CID 23690750

IUPACpotassium 2-phenylsulfanylacetate
SMILESO=C([O-])CSc1ccccc1.[K+]
InChIInChI=1S/C8H8O2S.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKeyLBPFJVMIVNEYDW-UHFFFAOYSA-M
MW206.31 g/mol
LogP-2.47
Rot. Bonds3

About potassium 2-phenylsulfanylacetate

potassium 2-phenylsulfanylacetate (PubChem CID 23690750) has the molecular formula C8H7KO2S and a molecular weight of 206.31 g/mol. Its IUPAC name is potassium 2-phenylsulfanylacetate.

Molecular Properties

Compound Namepotassium 2-phenylsulfanylacetate
PubChem CID23690750
Molecular FormulaC8H7KO2S
Molecular Weight206.31 g/mol
Exact Mass205.98
IUPAC Namepotassium 2-phenylsulfanylacetate
SMILESO=C([O-])CSc1ccccc1.[K+]
InChIInChI=1S/C8H8O2S.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
InChIKeyLBPFJVMIVNEYDW-UHFFFAOYSA-M
XLogP-2.47
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-2.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-phenylsulfanylacetate?
The IUPAC name of potassium 2-phenylsulfanylacetate (CID 23690750) is potassium 2-phenylsulfanylacetate.
What is the SMILES notation for potassium 2-phenylsulfanylacetate?
The canonical SMILES for potassium 2-phenylsulfanylacetate is O=C([O-])CSc1ccccc1.[K+].
What is the InChIKey of potassium 2-phenylsulfanylacetate?
The InChIKey is LBPFJVMIVNEYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O2S.K/c9-8(10)6-11-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-phenylsulfanylacetate?
potassium 2-phenylsulfanylacetate has a molecular weight of 206.31 g/mol, XLogP of -2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-phenylsulfanylacetate is sourced from PubChem (CID 23690750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).