diethyl sulfite

C4H10O3S — CID 12197

IUPACdiethyl sulfite
SMILESCCOS(=O)OCC
InChIInChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyNVJBFARDFTXOTO-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.64
Rot. Bonds4

About diethyl sulfite

diethyl sulfite (PubChem CID 12197) has the molecular formula C4H10O3S and a molecular weight of 138.19 g/mol. Its IUPAC name is diethyl sulfite.

Molecular Properties

Compound Namediethyl sulfite
PubChem CID12197
Molecular FormulaC4H10O3S
Molecular Weight138.19 g/mol
Exact Mass138.04
IUPAC Namediethyl sulfite
SMILESCCOS(=O)OCC
InChIInChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKeyNVJBFARDFTXOTO-UHFFFAOYSA-N
XLogP0.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl Sulfate
CID 6163
Dipropyl Sulfite
CID 136434
Disulfide, diethoxy
CID 10898917
Diethyl sulfate-d10
CID 71309939
(Ethoxysulfinyl)oxidanide
CID 12658898
[(Ethoxysulfanyl)oxy]ethane
CID 13759639
1-Propoxysulfanyloxypropane
CID 316388
CID 14381799
CID 14381799
Diethyl thiosulfite
CID 90470879
Ethyl methyl sulphite
CID 66305
Ethyl 2-fluoroethyl sulfite
CID 87154973
Ethyl 1-fluoroethyl sulfite
CID 87155657

Frequently Asked Questions

What is the IUPAC name of diethyl sulfite?
The IUPAC name of diethyl sulfite (CID 12197) is diethyl sulfite.
What is the SMILES notation for diethyl sulfite?
The canonical SMILES for diethyl sulfite is CCOS(=O)OCC.
What is the InChIKey of diethyl sulfite?
The InChIKey is NVJBFARDFTXOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3.
What are the key properties of diethyl sulfite?
diethyl sulfite has a molecular weight of 138.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl sulfite is sourced from PubChem (CID 12197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).