2-hydroxyethyl hydrogen sulfite

C2H6O4S — CID 6914275

IUPAC2-hydroxyethyl hydrogen sulfite
SMILESO=S(O)OCCO
InChIInChI=1S/C2H6O4S/c3-1-2-6-7(4)5/h3H,1-2H2,(H,4,5)
InChIKeyFZKPQHFEMFIDNR-UHFFFAOYSA-N
MW126.13 g/mol
LogP-0.87
Rot. Bonds3

About 2-hydroxyethyl hydrogen sulfite

2-hydroxyethyl hydrogen sulfite (PubChem CID 6914275) has the molecular formula C2H6O4S and a molecular weight of 126.13 g/mol. Its IUPAC name is 2-hydroxyethyl hydrogen sulfite.

Molecular Properties

Compound Name2-hydroxyethyl hydrogen sulfite
PubChem CID6914275
Molecular FormulaC2H6O4S
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Name2-hydroxyethyl hydrogen sulfite
SMILESO=S(O)OCCO
InChIInChI=1S/C2H6O4S/c3-1-2-6-7(4)5/h3H,1-2H2,(H,4,5)
InChIKeyFZKPQHFEMFIDNR-UHFFFAOYSA-N
XLogP-0.87
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-hydroxyethyl hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl hydrogen sulfite?
The IUPAC name of 2-hydroxyethyl hydrogen sulfite (CID 6914275) is 2-hydroxyethyl hydrogen sulfite.
What is the SMILES notation for 2-hydroxyethyl hydrogen sulfite?
The canonical SMILES for 2-hydroxyethyl hydrogen sulfite is O=S(O)OCCO.
What is the InChIKey of 2-hydroxyethyl hydrogen sulfite?
The InChIKey is FZKPQHFEMFIDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O4S/c3-1-2-6-7(4)5/h3H,1-2H2,(H,4,5).
What are the key properties of 2-hydroxyethyl hydrogen sulfite?
2-hydroxyethyl hydrogen sulfite has a molecular weight of 126.13 g/mol, XLogP of -0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl hydrogen sulfite is sourced from PubChem (CID 6914275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).