ethyl sulfite

C2H5O3S- — CID 12658898

IUPACethyl sulfite
SMILESCCOS(=O)[O-]
InChIInChI=1S/C2H6O3S/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyVOTNXLNTNMCSTJ-UHFFFAOYSA-M
MW109.13 g/mol
LogP-0.18
Rot. Bonds2

About ethyl sulfite

ethyl sulfite (PubChem CID 12658898) has the molecular formula C2H5O3S- and a molecular weight of 109.13 g/mol. Its IUPAC name is ethyl sulfite.

Molecular Properties

Compound Nameethyl sulfite
PubChem CID12658898
Molecular FormulaC2H5O3S-
Molecular Weight109.13 g/mol
Exact Mass109.00
IUPAC Nameethyl sulfite
SMILESCCOS(=O)[O-]
InChIInChI=1S/C2H6O3S/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)/p-1
InChIKeyVOTNXLNTNMCSTJ-UHFFFAOYSA-M
XLogP-0.18
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sulfurous acid, diethyl ester
CID 12197
Chlorosulfuric acid, ethyl ester
CID 69359
Chlorosulfurous acid, ethyl ester
CID 80784
Ethyl sulfate anion
CID 3804841
Ethyl sulfate;hydron
CID 57448826
Ethanol sulfite
CID 428021
Ethylemethanesulphonate
CID 4867723
Propyl-chlorsulfit
CID 10313192
Ethanol-sulphide
CID 19899959
Sodium ethylsulphite
CID 23687551
athylthio-schwefelsaures Natrium
CID 87801078
Propyl thiosulfonate
CID 89717748

Frequently Asked Questions

What is the IUPAC name of ethyl sulfite?
The IUPAC name of ethyl sulfite (CID 12658898) is ethyl sulfite.
What is the SMILES notation for ethyl sulfite?
The canonical SMILES for ethyl sulfite is CCOS(=O)[O-].
What is the InChIKey of ethyl sulfite?
The InChIKey is VOTNXLNTNMCSTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O3S/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)/p-1.
What are the key properties of ethyl sulfite?
ethyl sulfite has a molecular weight of 109.13 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfite is sourced from PubChem (CID 12658898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).