bis(ethane-1,2-diol);2-hydroxyethyl sulfite

C6H17O8S- — CID 174827171

IUPACbis(ethane-1,2-diol);2-hydroxyethyl sulfite
SMILESO=S([O-])OCCO.OCCO.OCCO
InChIInChI=1S/C2H6O4S.2C2H6O2/c3-1-2-6-7(4)5;2*3-1-2-4/h3H,1-2H2,(H,4,5);2*3-4H,1-2H2/p-1
InChIKeyXOGGWWXGUFKGIW-UHFFFAOYSA-M
MW249.26 g/mol
LogP-3.27
Rot. Bonds5

About bis(ethane-1,2-diol);2-hydroxyethyl sulfite

bis(ethane-1,2-diol);2-hydroxyethyl sulfite (PubChem CID 174827171) has the molecular formula C6H17O8S- and a molecular weight of 249.26 g/mol. Its IUPAC name is bis(ethane-1,2-diol);2-hydroxyethyl sulfite.

Molecular Properties

Compound Namebis(ethane-1,2-diol);2-hydroxyethyl sulfite
PubChem CID174827171
Molecular FormulaC6H17O8S-
Molecular Weight249.26 g/mol
Exact Mass249.06
IUPAC Namebis(ethane-1,2-diol);2-hydroxyethyl sulfite
SMILESO=S([O-])OCCO.OCCO.OCCO
InChIInChI=1S/C2H6O4S.2C2H6O2/c3-1-2-6-7(4)5;2*3-1-2-4/h3H,1-2H2,(H,4,5);2*3-4H,1-2H2/p-1
InChIKeyXOGGWWXGUFKGIW-UHFFFAOYSA-M
XLogP-3.27
TPSA150.51 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-3.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(ethane-1,2-diol);2-hydroxyethyl sulfite with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxyethyl hydrogen sulfite
CID 6914275
3-methoxycarbonyloxypropyl sulfite
CID 118684463
potassium 3-chloropropyl sulfite
CID 174658395
potassium 3-fluoropropyl sulfite
CID 174672463
azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl sulfite
CID 174892913
2-methoxycarbonyloxyethyl sulfite
CID 118684459
5-aminopentyl sulfite
CID 57200749
2-methoxyethyl sulfite
CID 54514151
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
3-(methylamino)propyl sulfite
CID 57067037
potassium;hydride;octyl sulfite
CID 174439661
4-dimethylsilylbutyl sulfite
CID 123590265

Frequently Asked Questions

What is the IUPAC name of bis(ethane-1,2-diol);2-hydroxyethyl sulfite?
The IUPAC name of bis(ethane-1,2-diol);2-hydroxyethyl sulfite (CID 174827171) is bis(ethane-1,2-diol);2-hydroxyethyl sulfite.
What is the SMILES notation for bis(ethane-1,2-diol);2-hydroxyethyl sulfite?
The canonical SMILES for bis(ethane-1,2-diol);2-hydroxyethyl sulfite is O=S([O-])OCCO.OCCO.OCCO.
What is the InChIKey of bis(ethane-1,2-diol);2-hydroxyethyl sulfite?
The InChIKey is XOGGWWXGUFKGIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.2C2H6O2/c3-1-2-6-7(4)5;2*3-1-2-4/h3H,1-2H2,(H,4,5);2*3-4H,1-2H2/p-1.
What are the key properties of bis(ethane-1,2-diol);2-hydroxyethyl sulfite?
bis(ethane-1,2-diol);2-hydroxyethyl sulfite has a molecular weight of 249.26 g/mol, XLogP of -3.27, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);2-hydroxyethyl sulfite is sourced from PubChem (CID 174827171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).