potassium 3-methoxythiophene-2-carboxylate

C6H5KO3S — CID 172727491

IUPACpotassium 3-methoxythiophene-2-carboxylate
SMILESCOc1ccsc1C(=O)[O-].[K+]
InChIInChI=1S/C6H6O3S.K/c1-9-4-2-3-10-5(4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1
InChIKeyHILIOCUEEWZACQ-UHFFFAOYSA-M
MW196.27 g/mol
LogP-2.88
Rot. Bonds2

About potassium 3-methoxythiophene-2-carboxylate

potassium 3-methoxythiophene-2-carboxylate (PubChem CID 172727491) has the molecular formula C6H5KO3S and a molecular weight of 196.27 g/mol. Its IUPAC name is potassium 3-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Namepotassium 3-methoxythiophene-2-carboxylate
PubChem CID172727491
Molecular FormulaC6H5KO3S
Molecular Weight196.27 g/mol
Exact Mass195.96
IUPAC Namepotassium 3-methoxythiophene-2-carboxylate
SMILESCOc1ccsc1C(=O)[O-].[K+]
InChIInChI=1S/C6H6O3S.K/c1-9-4-2-3-10-5(4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1
InChIKeyHILIOCUEEWZACQ-UHFFFAOYSA-M
XLogP-2.88
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-1-(3-methoxythiophen-2-yl)ethanone
CID 103513670
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
N-carbamoyl-3-methoxythiophene-2-carboxamide
CID 81128193
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
thiophene-2,3-dicarboxylate
CID 7349646
(3-methoxythiophen-2-yl)-(1H-pyrrol-3-yl)methanone
CID 81126948
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
(6-methoxynaphthalen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81121662
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145

Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxythiophene-2-carboxylate?
The IUPAC name of potassium 3-methoxythiophene-2-carboxylate (CID 172727491) is potassium 3-methoxythiophene-2-carboxylate.
What is the SMILES notation for potassium 3-methoxythiophene-2-carboxylate?
The canonical SMILES for potassium 3-methoxythiophene-2-carboxylate is COc1ccsc1C(=O)[O-].[K+].
What is the InChIKey of potassium 3-methoxythiophene-2-carboxylate?
The InChIKey is HILIOCUEEWZACQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.K/c1-9-4-2-3-10-5(4)6(7)8;/h2-3H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 3-methoxythiophene-2-carboxylate?
potassium 3-methoxythiophene-2-carboxylate has a molecular weight of 196.27 g/mol, XLogP of -2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxythiophene-2-carboxylate is sourced from PubChem (CID 172727491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).