1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane

C10H18O2S2 — CID 6449028

IUPAC1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane
SMILESC=CCS(=O)C/C=C/S(=O)CCCC
InChIInChI=1S/C10H18O2S2/c1-3-5-8-14(12)10-6-9-13(11)7-4-2/h4,6,10H,2-3,5,7-9H2,1H3/b10-6+
InChIKeyLGWMIVLKSODPMA-UXBLZVDNSA-N
MW234.39 g/mol
LogP1.98
Rot. Bonds8

About 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane

1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane (PubChem CID 6449028) has the molecular formula C10H18O2S2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane.

Molecular Properties

Compound Name1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane
PubChem CID6449028
Molecular FormulaC10H18O2S2
Molecular Weight234.39 g/mol
Exact Mass234.07
IUPAC Name1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane
SMILESC=CCS(=O)C/C=C/S(=O)CCCC
InChIInChI=1S/C10H18O2S2/c1-3-5-8-14(12)10-6-9-13(11)7-4-2/h4,6,10H,2-3,5,7-9H2,1H3/b10-6+
InChIKeyLGWMIVLKSODPMA-UXBLZVDNSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane?
The IUPAC name of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane (CID 6449028) is 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane.
What is the SMILES notation for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane?
The canonical SMILES for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane is C=CCS(=O)C/C=C/S(=O)CCCC.
What is the InChIKey of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane?
The InChIKey is LGWMIVLKSODPMA-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H18O2S2/c1-3-5-8-14(12)10-6-9-13(11)7-4-2/h4,6,10H,2-3,5,7-9H2,1H3/b10-6+.
What are the key properties of 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane?
1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane has a molecular weight of 234.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-prop-2-enylsulfinylprop-1-enyl]sulfinylbutane is sourced from PubChem (CID 6449028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).