sodium 8-chloronaphthalene-2-sulfinate

C10H6ClNaO2S — CID 23706328

IUPACsodium 8-chloronaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2cccc(Cl)c2c1.[Na+]
InChIInChI=1S/C10H7ClO2S.Na/c11-10-3-1-2-7-4-5-8(14(12)13)6-9(7)10;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyXADOXTUEZHXVFZ-UHFFFAOYSA-M
MW248.67 g/mol
LogP-0.26
Rot. Bonds1

About sodium 8-chloronaphthalene-2-sulfinate

sodium 8-chloronaphthalene-2-sulfinate (PubChem CID 23706328) has the molecular formula C10H6ClNaO2S and a molecular weight of 248.67 g/mol. Its IUPAC name is sodium 8-chloronaphthalene-2-sulfinate.

Molecular Properties

Compound Namesodium 8-chloronaphthalene-2-sulfinate
PubChem CID23706328
Molecular FormulaC10H6ClNaO2S
Molecular Weight248.67 g/mol
Exact Mass247.97
IUPAC Namesodium 8-chloronaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2cccc(Cl)c2c1.[Na+]
InChIInChI=1S/C10H7ClO2S.Na/c11-10-3-1-2-7-4-5-8(14(12)13)6-9(7)10;/h1-6H,(H,12,13);/q;+1/p-1
InChIKeyXADOXTUEZHXVFZ-UHFFFAOYSA-M
XLogP-0.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-chloronaphthalene-2-sulfinate?
The IUPAC name of sodium 8-chloronaphthalene-2-sulfinate (CID 23706328) is sodium 8-chloronaphthalene-2-sulfinate.
What is the SMILES notation for sodium 8-chloronaphthalene-2-sulfinate?
The canonical SMILES for sodium 8-chloronaphthalene-2-sulfinate is O=S([O-])c1ccc2cccc(Cl)c2c1.[Na+].
What is the InChIKey of sodium 8-chloronaphthalene-2-sulfinate?
The InChIKey is XADOXTUEZHXVFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H7ClO2S.Na/c11-10-3-1-2-7-4-5-8(14(12)13)6-9(7)10;/h1-6H,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 8-chloronaphthalene-2-sulfinate?
sodium 8-chloronaphthalene-2-sulfinate has a molecular weight of 248.67 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 8-chloronaphthalene-2-sulfinate is sourced from PubChem (CID 23706328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).