2-methoxyethyl sulfite

C3H7O4S- — CID 54514151

IUPAC2-methoxyethyl sulfite
SMILESCOCCOS(=O)[O-]
InChIInChI=1S/C3H8O4S/c1-6-2-3-7-8(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyVGGISIWZBWTWSA-UHFFFAOYSA-M
MW139.15 g/mol
LogP-0.56
Rot. Bonds4

About 2-methoxyethyl sulfite

2-methoxyethyl sulfite (PubChem CID 54514151) has the molecular formula C3H7O4S- and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-methoxyethyl sulfite.

Molecular Properties

Compound Name2-methoxyethyl sulfite
PubChem CID54514151
Molecular FormulaC3H7O4S-
Molecular Weight139.15 g/mol
Exact Mass139.01
IUPAC Name2-methoxyethyl sulfite
SMILESCOCCOS(=O)[O-]
InChIInChI=1S/C3H8O4S/c1-6-2-3-7-8(4)5/h2-3H2,1H3,(H,4,5)/p-1
InChIKeyVGGISIWZBWTWSA-UHFFFAOYSA-M
XLogP-0.56
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxycarbonyloxyethyl sulfite
CID 118684459
3-methoxycarbonyloxypropyl sulfite
CID 118684463
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
3-(methylamino)propyl sulfite
CID 57067037
2-methylprop-2-enoic acid;propyl sulfite
CID 174596264
potassium;hydride;octyl sulfite
CID 174439661
2-(2-methoxyethoxymethoxy)ethanesulfinate
CID 57218181
lithium;dodecyl sulfite;hydride
CID 174417370
potassium 3-chloropropyl sulfite
CID 174658395
potassium 3-fluoropropyl sulfite
CID 174672463
disodium;1,2-dimethoxyethane;carbonate
CID 86669059
1,2-dimethoxyethane;ethane
CID 91349162

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl sulfite?
The IUPAC name of 2-methoxyethyl sulfite (CID 54514151) is 2-methoxyethyl sulfite.
What is the SMILES notation for 2-methoxyethyl sulfite?
The canonical SMILES for 2-methoxyethyl sulfite is COCCOS(=O)[O-].
What is the InChIKey of 2-methoxyethyl sulfite?
The InChIKey is VGGISIWZBWTWSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O4S/c1-6-2-3-7-8(4)5/h2-3H2,1H3,(H,4,5)/p-1.
What are the key properties of 2-methoxyethyl sulfite?
2-methoxyethyl sulfite has a molecular weight of 139.15 g/mol, XLogP of -0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl sulfite is sourced from PubChem (CID 54514151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).