3-prop-2-enylsulfonylsulfinylprop-1-ene

C6H10O3S2 — CID 87152238

IUPAC3-prop-2-enylsulfonylsulfinylprop-1-ene
SMILESC=CCS(=O)S(=O)(=O)CC=C
InChIInChI=1S/C6H10O3S2/c1-3-5-10(7)11(8,9)6-4-2/h3-4H,1-2,5-6H2
InChIKeyGEEISLGDFNOIKG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.44
Rot. Bonds5

About 3-prop-2-enylsulfonylsulfinylprop-1-ene

3-prop-2-enylsulfonylsulfinylprop-1-ene (PubChem CID 87152238) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-prop-2-enylsulfonylsulfinylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-enylsulfonylsulfinylprop-1-ene
PubChem CID87152238
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC Name3-prop-2-enylsulfonylsulfinylprop-1-ene
SMILESC=CCS(=O)S(=O)(=O)CC=C
InChIInChI=1S/C6H10O3S2/c1-3-5-10(7)11(8,9)6-4-2/h3-4H,1-2,5-6H2
InChIKeyGEEISLGDFNOIKG-UHFFFAOYSA-N
XLogP0.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-prop-2-enylsulfonylsulfinylprop-1-ene?
The IUPAC name of 3-prop-2-enylsulfonylsulfinylprop-1-ene (CID 87152238) is 3-prop-2-enylsulfonylsulfinylprop-1-ene.
What is the SMILES notation for 3-prop-2-enylsulfonylsulfinylprop-1-ene?
The canonical SMILES for 3-prop-2-enylsulfonylsulfinylprop-1-ene is C=CCS(=O)S(=O)(=O)CC=C.
What is the InChIKey of 3-prop-2-enylsulfonylsulfinylprop-1-ene?
The InChIKey is GEEISLGDFNOIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c1-3-5-10(7)11(8,9)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enylsulfonylsulfinylprop-1-ene?
3-prop-2-enylsulfonylsulfinylprop-1-ene has a molecular weight of 194.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfonylsulfinylprop-1-ene is sourced from PubChem (CID 87152238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).