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

C9H14OS3 — CID 5386591

IUPAC(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCSS/C=C/CS(=O)CC=C
InChIInChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
InChIKeyIXELFRRANAOWSF-FNORWQNLSA-N
MW234.41 g/mol
LogP3.00
Rot. Bonds8

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

(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene (PubChem CID 5386591) has the molecular formula C9H14OS3 and a molecular weight of 234.41 g/mol. Its IUPAC name is (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene.

Molecular Properties

Compound Name(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene
PubChem CID5386591
Molecular FormulaC9H14OS3
Molecular Weight234.41 g/mol
Exact Mass234.02
IUPAC Name(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene
SMILESC=CCSS/C=C/CS(=O)CC=C
InChIInChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
InChIKeyIXELFRRANAOWSF-FNORWQNLSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene?
The IUPAC name of (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene (CID 5386591) is (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene.
What is the SMILES notation for (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene?
The canonical SMILES for (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene is C=CCSS/C=C/CS(=O)CC=C.
What is the InChIKey of (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene?
The InChIKey is IXELFRRANAOWSF-FNORWQNLSA-N. The full InChI is InChI=1S/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+.
What are the key properties of (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene?
(E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene has a molecular weight of 234.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfinylprop-1-ene is sourced from PubChem (CID 5386591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).