sodium thiophene-2-sulfonic acid

C4H4NaO3S2+ — CID 54603046

IUPACsodium thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cccs1.[Na+]
InChIInChI=1S/C4H4O3S2.Na/c5-9(6,7)4-2-1-3-8-4;/h1-3H,(H,5,6,7);/q;+1
InChIKeyKDYDJCSCGCIOKM-UHFFFAOYSA-N
MW187.20 g/mol
LogP-2.00
Rot. Bonds1

About sodium thiophene-2-sulfonic acid

sodium thiophene-2-sulfonic acid (PubChem CID 54603046) has the molecular formula C4H4NaO3S2+ and a molecular weight of 187.20 g/mol. Its IUPAC name is sodium thiophene-2-sulfonic acid.

Molecular Properties

Compound Namesodium thiophene-2-sulfonic acid
PubChem CID54603046
Molecular FormulaC4H4NaO3S2+
Molecular Weight187.20 g/mol
Exact Mass186.95
IUPAC Namesodium thiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cccs1.[Na+]
InChIInChI=1S/C4H4O3S2.Na/c5-9(6,7)4-2-1-3-8-4;/h1-3H,(H,5,6,7);/q;+1
InChIKeyKDYDJCSCGCIOKM-UHFFFAOYSA-N
XLogP-2.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
dihydroxy-methyl-thiophen-2-yl-λ4-sulfane
CID 143818318
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
methanol;thiophene-2-sulfonamide
CID 157397427
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
2-(disulfanylsulfonyl)thiophene
CID 147186470
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
N-fluorothiophene-2-sulfonamide
CID 175398216
2-propan-2-ylsulfonylthiophene
CID 22953694
N-sulfonylthiophene-2-sulfonamide
CID 88522112
2-(difluoromethylsulfonyl)thiophene
CID 82076235

Frequently Asked Questions

What is the IUPAC name of sodium thiophene-2-sulfonic acid?
The IUPAC name of sodium thiophene-2-sulfonic acid (CID 54603046) is sodium thiophene-2-sulfonic acid.
What is the SMILES notation for sodium thiophene-2-sulfonic acid?
The canonical SMILES for sodium thiophene-2-sulfonic acid is O=S(=O)(O)c1cccs1.[Na+].
What is the InChIKey of sodium thiophene-2-sulfonic acid?
The InChIKey is KDYDJCSCGCIOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3S2.Na/c5-9(6,7)4-2-1-3-8-4;/h1-3H,(H,5,6,7);/q;+1.
What are the key properties of sodium thiophene-2-sulfonic acid?
sodium thiophene-2-sulfonic acid has a molecular weight of 187.20 g/mol, XLogP of -2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium thiophene-2-sulfonic acid is sourced from PubChem (CID 54603046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).