ethenoxysulfinylmethyl ethenesulfinate

C5H8O4S2 — CID 22947161

IUPACethenoxysulfinylmethyl ethenesulfinate
SMILESC=COS(=O)COS(=O)C=C
InChIInChI=1S/C5H8O4S2/c1-3-8-11(7)5-9-10(6)4-2/h3-4H,1-2,5H2
InChIKeyONZDTXUIKFEMRH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds6

About ethenoxysulfinylmethyl ethenesulfinate

ethenoxysulfinylmethyl ethenesulfinate (PubChem CID 22947161) has the molecular formula C5H8O4S2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethenoxysulfinylmethyl ethenesulfinate.

Molecular Properties

Compound Nameethenoxysulfinylmethyl ethenesulfinate
PubChem CID22947161
Molecular FormulaC5H8O4S2
Molecular Weight196.25 g/mol
Exact Mass195.99
IUPAC Nameethenoxysulfinylmethyl ethenesulfinate
SMILESC=COS(=O)COS(=O)C=C
InChIInChI=1S/C5H8O4S2/c1-3-8-11(7)5-9-10(6)4-2/h3-4H,1-2,5H2
InChIKeyONZDTXUIKFEMRH-UHFFFAOYSA-N
XLogP0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxysulfinylmethyl ethenesulfinate?
The IUPAC name of ethenoxysulfinylmethyl ethenesulfinate (CID 22947161) is ethenoxysulfinylmethyl ethenesulfinate.
What is the SMILES notation for ethenoxysulfinylmethyl ethenesulfinate?
The canonical SMILES for ethenoxysulfinylmethyl ethenesulfinate is C=COS(=O)COS(=O)C=C.
What is the InChIKey of ethenoxysulfinylmethyl ethenesulfinate?
The InChIKey is ONZDTXUIKFEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4S2/c1-3-8-11(7)5-9-10(6)4-2/h3-4H,1-2,5H2.
What are the key properties of ethenoxysulfinylmethyl ethenesulfinate?
ethenoxysulfinylmethyl ethenesulfinate has a molecular weight of 196.25 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxysulfinylmethyl ethenesulfinate is sourced from PubChem (CID 22947161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).