3-prop-2-ynylsulfonylprop-1-ene

C6H8O2S — CID 82369011

IUPAC3-prop-2-ynylsulfonylprop-1-ene
SMILESC#CCS(=O)(=O)CC=C
InChIInChI=1S/C6H8O2S/c1-3-5-9(7,8)6-4-2/h1,4H,2,5-6H2
InChIKeyXDGPQSAVBOIAAE-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.22
Rot. Bonds3

About 3-prop-2-ynylsulfonylprop-1-ene

3-prop-2-ynylsulfonylprop-1-ene (PubChem CID 82369011) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-prop-2-ynylsulfonylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-ynylsulfonylprop-1-ene
PubChem CID82369011
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name3-prop-2-ynylsulfonylprop-1-ene
SMILESC#CCS(=O)(=O)CC=C
InChIInChI=1S/C6H8O2S/c1-3-5-9(7,8)6-4-2/h1,4H,2,5-6H2
InChIKeyXDGPQSAVBOIAAE-UHFFFAOYSA-N
XLogP0.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynylsulfonylprop-1-ene?
The IUPAC name of 3-prop-2-ynylsulfonylprop-1-ene (CID 82369011) is 3-prop-2-ynylsulfonylprop-1-ene.
What is the SMILES notation for 3-prop-2-ynylsulfonylprop-1-ene?
The canonical SMILES for 3-prop-2-ynylsulfonylprop-1-ene is C#CCS(=O)(=O)CC=C.
What is the InChIKey of 3-prop-2-ynylsulfonylprop-1-ene?
The InChIKey is XDGPQSAVBOIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-3-5-9(7,8)6-4-2/h1,4H,2,5-6H2.
What are the key properties of 3-prop-2-ynylsulfonylprop-1-ene?
3-prop-2-ynylsulfonylprop-1-ene has a molecular weight of 144.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynylsulfonylprop-1-ene is sourced from PubChem (CID 82369011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).