ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate

C7H12O4S2 — CID 59964465

IUPACethenyl 3-ethenylsulfinyloxypropane-1-sulfinate
SMILESC=COS(=O)CCCOS(=O)C=C
InChIInChI=1S/C7H12O4S2/c1-3-10-13(9)7-5-6-11-12(8)4-2/h3-4H,1-2,5-7H2
InChIKeySBOPWKVOHFNCIU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.02
Rot. Bonds8

About ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate

ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate (PubChem CID 59964465) has the molecular formula C7H12O4S2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate.

Molecular Properties

Compound Nameethenyl 3-ethenylsulfinyloxypropane-1-sulfinate
PubChem CID59964465
Molecular FormulaC7H12O4S2
Molecular Weight224.30 g/mol
Exact Mass224.02
IUPAC Nameethenyl 3-ethenylsulfinyloxypropane-1-sulfinate
SMILESC=COS(=O)CCCOS(=O)C=C
InChIInChI=1S/C7H12O4S2/c1-3-10-13(9)7-5-6-11-12(8)4-2/h3-4H,1-2,5-7H2
InChIKeySBOPWKVOHFNCIU-UHFFFAOYSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Ethenylsulfonyloxypropyl ethenesulfonate
CID 13685177
2-Ethenoxysulfonylethanesulfonic acid
CID 21850931
Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
Ethenoxysulfinylmethyl ethenesulfinate
CID 22947161
Ethenyl butane-1-sulfonate
CID 54272369
Ethoxysulfonyl ethenesulfonate
CID 56628394
Sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate
CID 59964454
Ethenyl propane-1-sulfonate
CID 87395324
2-Ethenylsulfonyloxyethyl ethenesulfonate
CID 87856503
[(E)-2-ethenylsulfonyloxyethenyl] ethenesulfonate
CID 87857319
Ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate
CID 118360317
2-Ethenylsulfonyloxyethenyl ethenesulfonate
CID 123948873

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate?
The IUPAC name of ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate (CID 59964465) is ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate.
What is the SMILES notation for ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate?
The canonical SMILES for ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate is C=COS(=O)CCCOS(=O)C=C.
What is the InChIKey of ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate?
The InChIKey is SBOPWKVOHFNCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S2/c1-3-10-13(9)7-5-6-11-12(8)4-2/h3-4H,1-2,5-7H2.
What are the key properties of ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate?
ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate has a molecular weight of 224.30 g/mol, XLogP of 1.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate is sourced from PubChem (CID 59964465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).