sodium 2,6-dichlorobenzenesulfinate

C6H3Cl2NaO2S — CID 18345412

IUPACsodium 2,6-dichlorobenzenesulfinate
SMILESO=S([O-])c1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C6H4Cl2O2S.Na/c7-4-2-1-3-5(8)6(4)11(9)10;/h1-3H,(H,9,10);/q;+1/p-1
InChIKeyVADMBKGBCKBQHC-UHFFFAOYSA-M
MW233.05 g/mol
LogP-0.76
Rot. Bonds1

About sodium 2,6-dichlorobenzenesulfinate

sodium 2,6-dichlorobenzenesulfinate (PubChem CID 18345412) has the molecular formula C6H3Cl2NaO2S and a molecular weight of 233.05 g/mol. Its IUPAC name is sodium 2,6-dichlorobenzenesulfinate.

Molecular Properties

Compound Namesodium 2,6-dichlorobenzenesulfinate
PubChem CID18345412
Molecular FormulaC6H3Cl2NaO2S
Molecular Weight233.05 g/mol
Exact Mass231.91
IUPAC Namesodium 2,6-dichlorobenzenesulfinate
SMILESO=S([O-])c1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C6H4Cl2O2S.Na/c7-4-2-1-3-5(8)6(4)11(9)10;/h1-3H,(H,9,10);/q;+1/p-1
InChIKeyVADMBKGBCKBQHC-UHFFFAOYSA-M
XLogP-0.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 5-0.76
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 2,6-dichlorobenzenesulfinate?
The IUPAC name of sodium 2,6-dichlorobenzenesulfinate (CID 18345412) is sodium 2,6-dichlorobenzenesulfinate.
What is the SMILES notation for sodium 2,6-dichlorobenzenesulfinate?
The canonical SMILES for sodium 2,6-dichlorobenzenesulfinate is O=S([O-])c1c(Cl)cccc1Cl.[Na+].
What is the InChIKey of sodium 2,6-dichlorobenzenesulfinate?
The InChIKey is VADMBKGBCKBQHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O2S.Na/c7-4-2-1-3-5(8)6(4)11(9)10;/h1-3H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 2,6-dichlorobenzenesulfinate?
sodium 2,6-dichlorobenzenesulfinate has a molecular weight of 233.05 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,6-dichlorobenzenesulfinate is sourced from PubChem (CID 18345412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).