2-(2-hydroxyethoxy)benzenesulfinate

C8H9O4S- — CID 69120794

IUPAC2-(2-hydroxyethoxy)benzenesulfinate
SMILESO=S([O-])c1ccccc1OCCO
InChIInChI=1S/C8H10O4S/c9-5-6-12-7-3-1-2-4-8(7)13(10)11/h1-4,9H,5-6H2,(H,10,11)/p-1
InChIKeyQZVKVALEXVNSGD-UHFFFAOYSA-M
MW201.22 g/mol
LogP0.30
Rot. Bonds4

About 2-(2-hydroxyethoxy)benzenesulfinate

2-(2-hydroxyethoxy)benzenesulfinate (PubChem CID 69120794) has the molecular formula C8H9O4S- and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)benzenesulfinate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)benzenesulfinate
PubChem CID69120794
Molecular FormulaC8H9O4S-
Molecular Weight201.22 g/mol
Exact Mass201.02
IUPAC Name2-(2-hydroxyethoxy)benzenesulfinate
SMILESO=S([O-])c1ccccc1OCCO
InChIInChI=1S/C8H10O4S/c9-5-6-12-7-3-1-2-4-8(7)13(10)11/h1-4,9H,5-6H2,(H,10,11)/p-1
InChIKeyQZVKVALEXVNSGD-UHFFFAOYSA-M
XLogP0.30
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-hydroxyethoxy)benzenesulfinate?
The IUPAC name of 2-(2-hydroxyethoxy)benzenesulfinate (CID 69120794) is 2-(2-hydroxyethoxy)benzenesulfinate.
What is the SMILES notation for 2-(2-hydroxyethoxy)benzenesulfinate?
The canonical SMILES for 2-(2-hydroxyethoxy)benzenesulfinate is O=S([O-])c1ccccc1OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)benzenesulfinate?
The InChIKey is QZVKVALEXVNSGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O4S/c9-5-6-12-7-3-1-2-4-8(7)13(10)11/h1-4,9H,5-6H2,(H,10,11)/p-1.
What are the key properties of 2-(2-hydroxyethoxy)benzenesulfinate?
2-(2-hydroxyethoxy)benzenesulfinate has a molecular weight of 201.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)benzenesulfinate is sourced from PubChem (CID 69120794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).