sodium 5-formylthiophene-2-sulfonate

C5H3NaO4S2 — CID 53443142

IUPACsodium 5-formylthiophene-2-sulfonate
SMILESO=Cc1ccc(S(=O)(=O)[O-])s1.[Na+]
InChIInChI=1S/C5H4O4S2.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1
InChIKeyRHHBALRLLKPAFX-UHFFFAOYSA-M
MW214.20 g/mol
LogP-2.53
Rot. Bonds2

About sodium 5-formylthiophene-2-sulfonate

sodium 5-formylthiophene-2-sulfonate (PubChem CID 53443142) has the molecular formula C5H3NaO4S2 and a molecular weight of 214.20 g/mol. Its IUPAC name is sodium 5-formylthiophene-2-sulfonate.

Molecular Properties

Compound Namesodium 5-formylthiophene-2-sulfonate
PubChem CID53443142
Molecular FormulaC5H3NaO4S2
Molecular Weight214.20 g/mol
Exact Mass213.94
IUPAC Namesodium 5-formylthiophene-2-sulfonate
SMILESO=Cc1ccc(S(=O)(=O)[O-])s1.[Na+]
InChIInChI=1S/C5H4O4S2.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1
InChIKeyRHHBALRLLKPAFX-UHFFFAOYSA-M
XLogP-2.53
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-2.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-methylsulfonylthiophene-2-carbaldehyde
CID 20623963
sodium 5-chlorothiophene-2-sulfonate
CID 23683591
5-trimethylgermylthiophene-2-carbaldehyde
CID 15686472
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
CID 19788970
5-formyl-N,N-dimethylthiophene-2-carboxamide
CID 15007350
5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
CID 85145052
5-[hydroxy(methyl)amino]thiophene-2-carbaldehyde
CID 118219364
5-[(E)-3-methylbut-1-enyl]thiophene-2-carbaldehyde
CID 146324289
5-(2,6-diphenylpyrylium-4-yl)thiophene-2-sulfonate
CID 3722061
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746

Frequently Asked Questions

What is the IUPAC name of sodium 5-formylthiophene-2-sulfonate?
The IUPAC name of sodium 5-formylthiophene-2-sulfonate (CID 53443142) is sodium 5-formylthiophene-2-sulfonate.
What is the SMILES notation for sodium 5-formylthiophene-2-sulfonate?
The canonical SMILES for sodium 5-formylthiophene-2-sulfonate is O=Cc1ccc(S(=O)(=O)[O-])s1.[Na+].
What is the InChIKey of sodium 5-formylthiophene-2-sulfonate?
The InChIKey is RHHBALRLLKPAFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O4S2.Na/c6-3-4-1-2-5(10-4)11(7,8)9;/h1-3H,(H,7,8,9);/q;+1/p-1.
What are the key properties of sodium 5-formylthiophene-2-sulfonate?
sodium 5-formylthiophene-2-sulfonate has a molecular weight of 214.20 g/mol, XLogP of -2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-formylthiophene-2-sulfonate is sourced from PubChem (CID 53443142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).