sodium thiophene-2-carboxylate

C5H3NaO2S — CID 23672340

IUPACsodium thiophene-2-carboxylate
SMILESO=C([O-])c1cccs1.[Na+]
InChIInChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyLKYIPGJOXSVWPX-UHFFFAOYSA-M
MW150.13 g/mol
LogP-2.88
Rot. Bonds1

About sodium thiophene-2-carboxylate

sodium thiophene-2-carboxylate (PubChem CID 23672340) has the molecular formula C5H3NaO2S and a molecular weight of 150.13 g/mol. Its IUPAC name is sodium thiophene-2-carboxylate.

Molecular Properties

Compound Namesodium thiophene-2-carboxylate
PubChem CID23672340
Molecular FormulaC5H3NaO2S
Molecular Weight150.13 g/mol
Exact Mass149.98
IUPAC Namesodium thiophene-2-carboxylate
SMILESO=C([O-])c1cccs1.[Na+]
InChIInChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1
InChIKeyLKYIPGJOXSVWPX-UHFFFAOYSA-M
XLogP-2.88
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

calcium;bis(thiophene-2-carboxylate);tris(thiophene-2-carboxylic acid)
CID 158464117
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
oxido(thiophene-2-carbonyl)azanium
CID 141173864
1-thiophen-2-ylpropan-1-one
CID 26179
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate
CID 141160501
formaldehyde;thiophene-2-carboxylic acid
CID 158716916
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
sodium (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
CID 167420353
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
2-propyl-1,3-dithiophen-2-ylpropane-1,3-dione
CID 132603517

Frequently Asked Questions

What is the IUPAC name of sodium thiophene-2-carboxylate?
The IUPAC name of sodium thiophene-2-carboxylate (CID 23672340) is sodium thiophene-2-carboxylate.
What is the SMILES notation for sodium thiophene-2-carboxylate?
The canonical SMILES for sodium thiophene-2-carboxylate is O=C([O-])c1cccs1.[Na+].
What is the InChIKey of sodium thiophene-2-carboxylate?
The InChIKey is LKYIPGJOXSVWPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O2S.Na/c6-5(7)4-2-1-3-8-4;/h1-3H,(H,6,7);/q;+1/p-1.
What are the key properties of sodium thiophene-2-carboxylate?
sodium thiophene-2-carboxylate has a molecular weight of 150.13 g/mol, XLogP of -2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium thiophene-2-carboxylate is sourced from PubChem (CID 23672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).