3-ethenylsulfonylprop-1-en-1-ol

C5H8O3S — CID 174348368

IUPAC3-ethenylsulfonylprop-1-en-1-ol
SMILESC=CS(=O)(=O)CC=CO
InChIInChI=1S/C5H8O3S/c1-2-9(7,8)5-3-4-6/h2-4,6H,1,5H2
InChIKeyRNBVHTUUPVQCFK-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.62
Rot. Bonds3

About 3-ethenylsulfonylprop-1-en-1-ol

3-ethenylsulfonylprop-1-en-1-ol (PubChem CID 174348368) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-ethenylsulfonylprop-1-en-1-ol.

Molecular Properties

Compound Name3-ethenylsulfonylprop-1-en-1-ol
PubChem CID174348368
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name3-ethenylsulfonylprop-1-en-1-ol
SMILESC=CS(=O)(=O)CC=CO
InChIInChI=1S/C5H8O3S/c1-2-9(7,8)5-3-4-6/h2-4,6H,1,5H2
InChIKeyRNBVHTUUPVQCFK-UHFFFAOYSA-N
XLogP0.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylsulfonylprop-1-en-1-ol?
The IUPAC name of 3-ethenylsulfonylprop-1-en-1-ol (CID 174348368) is 3-ethenylsulfonylprop-1-en-1-ol.
What is the SMILES notation for 3-ethenylsulfonylprop-1-en-1-ol?
The canonical SMILES for 3-ethenylsulfonylprop-1-en-1-ol is C=CS(=O)(=O)CC=CO.
What is the InChIKey of 3-ethenylsulfonylprop-1-en-1-ol?
The InChIKey is RNBVHTUUPVQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-2-9(7,8)5-3-4-6/h2-4,6H,1,5H2.
What are the key properties of 3-ethenylsulfonylprop-1-en-1-ol?
3-ethenylsulfonylprop-1-en-1-ol has a molecular weight of 148.18 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfonylprop-1-en-1-ol is sourced from PubChem (CID 174348368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).