2-(2-methoxyethoxymethoxy)ethanesulfinate

C6H13O5S- — CID 57218181

IUPAC2-(2-methoxyethoxymethoxy)ethanesulfinate
SMILESCOCCOCOCCS(=O)[O-]
InChIInChI=1S/C6H14O5S/c1-9-2-3-10-6-11-4-5-12(7)8/h2-6H2,1H3,(H,7,8)/p-1
InChIKeyNSORVUVWJBMUAD-UHFFFAOYSA-M
MW197.23 g/mol
LogP-0.50
Rot. Bonds8

About 2-(2-methoxyethoxymethoxy)ethanesulfinate

2-(2-methoxyethoxymethoxy)ethanesulfinate (PubChem CID 57218181) has the molecular formula C6H13O5S- and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)ethanesulfinate.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)ethanesulfinate
PubChem CID57218181
Molecular FormulaC6H13O5S-
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name2-(2-methoxyethoxymethoxy)ethanesulfinate
SMILESCOCCOCOCCS(=O)[O-]
InChIInChI=1S/C6H14O5S/c1-9-2-3-10-6-11-4-5-12(7)8/h2-6H2,1H3,(H,7,8)/p-1
InChIKeyNSORVUVWJBMUAD-UHFFFAOYSA-M
XLogP-0.50
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-(2-methoxyethoxymethoxy)ethanesulfinate 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-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
2-(2-methylpropoxy)ethanesulfinate
CID 174965420
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264
2-methoxyethyl sulfite
CID 54514151
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578
methyl 2-(2-methoxyethoxymethoxy)acetate
CID 86258559
1-(2-methoxyethoxy)-N-(2-methoxyethoxymethyl)-N-methylmethanamine
CID 87640725

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)ethanesulfinate?
The IUPAC name of 2-(2-methoxyethoxymethoxy)ethanesulfinate (CID 57218181) is 2-(2-methoxyethoxymethoxy)ethanesulfinate.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)ethanesulfinate?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)ethanesulfinate is COCCOCOCCS(=O)[O-].
What is the InChIKey of 2-(2-methoxyethoxymethoxy)ethanesulfinate?
The InChIKey is NSORVUVWJBMUAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O5S/c1-9-2-3-10-6-11-4-5-12(7)8/h2-6H2,1H3,(H,7,8)/p-1.
What are the key properties of 2-(2-methoxyethoxymethoxy)ethanesulfinate?
2-(2-methoxyethoxymethoxy)ethanesulfinate has a molecular weight of 197.23 g/mol, XLogP of -0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)ethanesulfinate is sourced from PubChem (CID 57218181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).