2,5-dichlorobenzenesulfinate

C6H3Cl2O2S- — CID 5236909

IUPAC2,5-dichlorobenzenesulfinate
SMILESO=S([O-])c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,(H,9,10)/p-1
InChIKeyCAZDDRMAVQSBDV-UHFFFAOYSA-M
MW210.06 g/mol
LogP2.23
Rot. Bonds1

About 2,5-dichlorobenzenesulfinate

2,5-dichlorobenzenesulfinate (PubChem CID 5236909) has the molecular formula C6H3Cl2O2S- and a molecular weight of 210.06 g/mol. Its IUPAC name is 2,5-dichlorobenzenesulfinate.

Molecular Properties

Compound Name2,5-dichlorobenzenesulfinate
PubChem CID5236909
Molecular FormulaC6H3Cl2O2S-
Molecular Weight210.06 g/mol
Exact Mass208.92
IUPAC Name2,5-dichlorobenzenesulfinate
SMILESO=S([O-])c1cc(Cl)ccc1Cl
InChIInChI=1S/C6H4Cl2O2S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,(H,9,10)/p-1
InChIKeyCAZDDRMAVQSBDV-UHFFFAOYSA-M
XLogP2.23
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.06
LogP ≤ 52.23
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 2,5-dichlorobenzenesulfinate?
The IUPAC name of 2,5-dichlorobenzenesulfinate (CID 5236909) is 2,5-dichlorobenzenesulfinate.
What is the SMILES notation for 2,5-dichlorobenzenesulfinate?
The canonical SMILES for 2,5-dichlorobenzenesulfinate is O=S([O-])c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichlorobenzenesulfinate?
The InChIKey is CAZDDRMAVQSBDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4Cl2O2S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,(H,9,10)/p-1.
What are the key properties of 2,5-dichlorobenzenesulfinate?
2,5-dichlorobenzenesulfinate has a molecular weight of 210.06 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorobenzenesulfinate is sourced from PubChem (CID 5236909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).