sodium thiophene-2-sulfinate

C4H3NaO2S2 — CID 23674657

IUPACsodium thiophene-2-sulfinate
SMILESO=S([O-])c1cccs1.[Na+]
InChIInChI=1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1
InChIKeyRRLLXOFIOPVYOP-UHFFFAOYSA-M
MW170.19 g/mol
LogP-2.01
Rot. Bonds1

About sodium thiophene-2-sulfinate

sodium thiophene-2-sulfinate (PubChem CID 23674657) has the molecular formula C4H3NaO2S2 and a molecular weight of 170.19 g/mol. Its IUPAC name is sodium thiophene-2-sulfinate.

Molecular Properties

Compound Namesodium thiophene-2-sulfinate
PubChem CID23674657
Molecular FormulaC4H3NaO2S2
Molecular Weight170.19 g/mol
Exact Mass169.95
IUPAC Namesodium thiophene-2-sulfinate
SMILESO=S([O-])c1cccs1.[Na+]
InChIInChI=1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1
InChIKeyRRLLXOFIOPVYOP-UHFFFAOYSA-M
XLogP-2.01
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium thiophene-2-sulfinate?
The IUPAC name of sodium thiophene-2-sulfinate (CID 23674657) is sodium thiophene-2-sulfinate.
What is the SMILES notation for sodium thiophene-2-sulfinate?
The canonical SMILES for sodium thiophene-2-sulfinate is O=S([O-])c1cccs1.[Na+].
What is the InChIKey of sodium thiophene-2-sulfinate?
The InChIKey is RRLLXOFIOPVYOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4O2S2.Na/c5-8(6)4-2-1-3-7-4;/h1-3H,(H,5,6);/q;+1/p-1.
What are the key properties of sodium thiophene-2-sulfinate?
sodium thiophene-2-sulfinate has a molecular weight of 170.19 g/mol, XLogP of -2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium thiophene-2-sulfinate is sourced from PubChem (CID 23674657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).