sodium 2,5-dichlorothiophene-3-sulfinate

C4HCl2NaO2S2 — CID 23683335

IUPACsodium 2,5-dichlorothiophene-3-sulfinate
SMILESO=S([O-])c1cc(Cl)sc1Cl.[Na+]
InChIInChI=1S/C4H2Cl2O2S2.Na/c5-3-1-2(10(7)8)4(6)9-3;/h1H,(H,7,8);/q;+1/p-1
InChIKeyVUYAANWWKDAVGG-UHFFFAOYSA-M
MW239.08 g/mol
LogP-0.70
Rot. Bonds1

About sodium 2,5-dichlorothiophene-3-sulfinate

sodium 2,5-dichlorothiophene-3-sulfinate (PubChem CID 23683335) has the molecular formula C4HCl2NaO2S2 and a molecular weight of 239.08 g/mol. Its IUPAC name is sodium 2,5-dichlorothiophene-3-sulfinate.

Molecular Properties

Compound Namesodium 2,5-dichlorothiophene-3-sulfinate
PubChem CID23683335
Molecular FormulaC4HCl2NaO2S2
Molecular Weight239.08 g/mol
Exact Mass237.87
IUPAC Namesodium 2,5-dichlorothiophene-3-sulfinate
SMILESO=S([O-])c1cc(Cl)sc1Cl.[Na+]
InChIInChI=1S/C4H2Cl2O2S2.Na/c5-3-1-2(10(7)8)4(6)9-3;/h1H,(H,7,8);/q;+1/p-1
InChIKeyVUYAANWWKDAVGG-UHFFFAOYSA-M
XLogP-0.70
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 5-0.70
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 2,5-dichlorothiophene-3-sulfinate?
The IUPAC name of sodium 2,5-dichlorothiophene-3-sulfinate (CID 23683335) is sodium 2,5-dichlorothiophene-3-sulfinate.
What is the SMILES notation for sodium 2,5-dichlorothiophene-3-sulfinate?
The canonical SMILES for sodium 2,5-dichlorothiophene-3-sulfinate is O=S([O-])c1cc(Cl)sc1Cl.[Na+].
What is the InChIKey of sodium 2,5-dichlorothiophene-3-sulfinate?
The InChIKey is VUYAANWWKDAVGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2Cl2O2S2.Na/c5-3-1-2(10(7)8)4(6)9-3;/h1H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2,5-dichlorothiophene-3-sulfinate?
sodium 2,5-dichlorothiophene-3-sulfinate has a molecular weight of 239.08 g/mol, XLogP of -0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,5-dichlorothiophene-3-sulfinate is sourced from PubChem (CID 23683335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).