ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate

C8H14O4S2 — CID 118360317

IUPACethenyl 4-ethenylsulfinyloxybutane-1-sulfinate
SMILESC=COS(=O)CCCCOS(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-3-11-14(10)8-6-5-7-12-13(9)4-2/h3-4H,1-2,5-8H2
InChIKeySCYUILYGFGQIQI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.41
Rot. Bonds9

About ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate

ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate (PubChem CID 118360317) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate.

Molecular Properties

Compound Nameethenyl 4-ethenylsulfinyloxybutane-1-sulfinate
PubChem CID118360317
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Nameethenyl 4-ethenylsulfinyloxybutane-1-sulfinate
SMILESC=COS(=O)CCCCOS(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-3-11-14(10)8-6-5-7-12-13(9)4-2/h3-4H,1-2,5-8H2
InChIKeySCYUILYGFGQIQI-UHFFFAOYSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate?
The IUPAC name of ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate (CID 118360317) is ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate.
What is the SMILES notation for ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate?
The canonical SMILES for ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate is C=COS(=O)CCCCOS(=O)C=C.
What is the InChIKey of ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate?
The InChIKey is SCYUILYGFGQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-3-11-14(10)8-6-5-7-12-13(9)4-2/h3-4H,1-2,5-8H2.
What are the key properties of ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate?
ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate has a molecular weight of 238.33 g/mol, XLogP of 1.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate is sourced from PubChem (CID 118360317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).