sodium thiophene-2-sulfonate

C4H3NaO3S2 — CID 23673643

IUPACsodium thiophene-2-sulfonate
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/p-1
InChIKeyKDYDJCSCGCIOKM-UHFFFAOYSA-M
MW186.19 g/mol
LogP-2.34
Rot. Bonds1

About sodium thiophene-2-sulfonate

sodium thiophene-2-sulfonate (PubChem CID 23673643) has the molecular formula C4H3NaO3S2 and a molecular weight of 186.19 g/mol. Its IUPAC name is sodium thiophene-2-sulfonate.

Molecular Properties

Compound Namesodium thiophene-2-sulfonate
PubChem CID23673643
Molecular FormulaC4H3NaO3S2
Molecular Weight186.19 g/mol
Exact Mass185.94
IUPAC Namesodium thiophene-2-sulfonate
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/p-1
InChIKeyKDYDJCSCGCIOKM-UHFFFAOYSA-M
XLogP-2.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Thiophenesulfonamide
CID 72881
2-Thiophenesulfonyl chloride
CID 85518
Thiophene-3-sulfonamide
CID 1201388
2-Methylsulfonylthiophene
CID 707933
3-(Methylsulfonyl)thiophene
CID 248648
Thiophene-2-sulfonylacetonitrile
CID 589922
Thiophene-3-sulfonyl Chloride
CID 2776378
5-Iodothiophene-2-sulfonyl chloride
CID 13425715
Thiophene-2-sulfonyl fluoride
CID 19098976
Sodium thiophene-2-sulfinate
CID 23674657
2,5-Bis(ethylsulfonyl)thiophene
CID 678404
Thiophene-2-sulfonic acid
CID 165170

Frequently Asked Questions

What is the IUPAC name of sodium thiophene-2-sulfonate?
The IUPAC name of sodium thiophene-2-sulfonate (CID 23673643) is sodium thiophene-2-sulfonate.
What is the SMILES notation for sodium thiophene-2-sulfonate?
The canonical SMILES for sodium thiophene-2-sulfonate is O=S(=O)([O-])c1cccs1.[Na+].
What is the InChIKey of sodium thiophene-2-sulfonate?
The InChIKey is KDYDJCSCGCIOKM-UHFFFAOYSA-M. 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/p-1.
What are the key properties of sodium thiophene-2-sulfonate?
sodium thiophene-2-sulfonate has a molecular weight of 186.19 g/mol, XLogP of -2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium thiophene-2-sulfonate is sourced from PubChem (CID 23673643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).