3-ethenylsulfonylprop-1-en-2-ol

C5H8O3S — CID 174785035

IUPAC3-ethenylsulfonylprop-1-en-2-ol
SMILESC=CS(=O)(=O)CC(=C)O
InChIInChI=1S/C5H8O3S/c1-3-9(7,8)4-5(2)6/h3,6H,1-2,4H2
InChIKeyHAKUYMKVDMJTSS-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.62
Rot. Bonds3

About 3-ethenylsulfonylprop-1-en-2-ol

3-ethenylsulfonylprop-1-en-2-ol (PubChem CID 174785035) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-ethenylsulfonylprop-1-en-2-ol.

Molecular Properties

Compound Name3-ethenylsulfonylprop-1-en-2-ol
PubChem CID174785035
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name3-ethenylsulfonylprop-1-en-2-ol
SMILESC=CS(=O)(=O)CC(=C)O
InChIInChI=1S/C5H8O3S/c1-3-9(7,8)4-5(2)6/h3,6H,1-2,4H2
InChIKeyHAKUYMKVDMJTSS-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-2-ol?
The IUPAC name of 3-ethenylsulfonylprop-1-en-2-ol (CID 174785035) is 3-ethenylsulfonylprop-1-en-2-ol.
What is the SMILES notation for 3-ethenylsulfonylprop-1-en-2-ol?
The canonical SMILES for 3-ethenylsulfonylprop-1-en-2-ol is C=CS(=O)(=O)CC(=C)O.
What is the InChIKey of 3-ethenylsulfonylprop-1-en-2-ol?
The InChIKey is HAKUYMKVDMJTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-3-9(7,8)4-5(2)6/h3,6H,1-2,4H2.
What are the key properties of 3-ethenylsulfonylprop-1-en-2-ol?
3-ethenylsulfonylprop-1-en-2-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-2-ol is sourced from PubChem (CID 174785035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).