bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane

C10H18O5S2 — CID 174947717

IUPACbis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane
SMILESC=CCS(=O)(=O)CCC.C=COS(=O)OC=C
InChIInChI=1S/C6H12O2S.C4H6O3S/c1-3-5-9(7,8)6-4-2;1-3-6-8(5)7-4-2/h3H,1,4-6H2,2H3;3-4H,1-2H2
InChIKeyJQHNOSLALZVXFX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.88
Rot. Bonds8

About bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane

bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane (PubChem CID 174947717) has the molecular formula C10H18O5S2 and a molecular weight of 282.38 g/mol. Its IUPAC name is bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane.

Molecular Properties

Compound Namebis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane
PubChem CID174947717
Molecular FormulaC10H18O5S2
Molecular Weight282.38 g/mol
Exact Mass282.06
IUPAC Namebis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane
SMILESC=CCS(=O)(=O)CCC.C=COS(=O)OC=C
InChIInChI=1S/C6H12O2S.C4H6O3S/c1-3-5-9(7,8)6-4-2;1-3-6-8(5)7-4-2/h3H,1,4-6H2,2H3;3-4H,1-2H2
InChIKeyJQHNOSLALZVXFX-UHFFFAOYSA-N
XLogP1.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane?
The IUPAC name of bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane (CID 174947717) is bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane.
What is the SMILES notation for bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane?
The canonical SMILES for bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane is C=CCS(=O)(=O)CCC.C=COS(=O)OC=C.
What is the InChIKey of bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane?
The InChIKey is JQHNOSLALZVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C4H6O3S/c1-3-5-9(7,8)6-4-2;1-3-6-8(5)7-4-2/h3H,1,4-6H2,2H3;3-4H,1-2H2.
What are the key properties of bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane?
bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane has a molecular weight of 282.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethenyl) sulfite;1-prop-2-enylsulfonylpropane is sourced from PubChem (CID 174947717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).