(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene

C8H14O2S2 — CID 6449029

IUPAC(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCS(=O)C/C=C/S(=O)CC
InChIInChI=1S/C8H14O2S2/c1-3-6-12(10)8-5-7-11(9)4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
InChIKeyBPGNHPCNBJPIDS-FNORWQNLSA-N
MW206.33 g/mol
LogP1.20
Rot. Bonds6

About (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene

(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene (PubChem CID 6449029) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene
PubChem CID6449029
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCS(=O)C/C=C/S(=O)CC
InChIInChI=1S/C8H14O2S2/c1-3-6-12(10)8-5-7-11(9)4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
InChIKeyBPGNHPCNBJPIDS-FNORWQNLSA-N
XLogP1.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.20
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 (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene?
The IUPAC name of (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene (CID 6449029) is (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene.
What is the SMILES notation for (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene?
The canonical SMILES for (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene is C=CCS(=O)C/C=C/S(=O)CC.
What is the InChIKey of (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene?
The InChIKey is BPGNHPCNBJPIDS-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-3-6-12(10)8-5-7-11(9)4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+.
What are the key properties of (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene?
(E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene has a molecular weight of 206.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethylsulfinyl-3-prop-2-enylsulfinylprop-1-ene is sourced from PubChem (CID 6449029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).