ethenyl propane-1-sulfonate

C5H10O3S — CID 87395324

IUPACethenyl propane-1-sulfonate
SMILESC=COS(=O)(=O)CCC
InChIInChI=1S/C5H10O3S/c1-3-5-9(6,7)8-4-2/h4H,2-3,5H2,1H3
InChIKeyUJAVPINHFFAGOC-UHFFFAOYSA-N
MW150.20 g/mol
LogP0.89
Rot. Bonds4

About ethenyl propane-1-sulfonate

ethenyl propane-1-sulfonate (PubChem CID 87395324) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is ethenyl propane-1-sulfonate.

Molecular Properties

Compound Nameethenyl propane-1-sulfonate
PubChem CID87395324
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Nameethenyl propane-1-sulfonate
SMILESC=COS(=O)(=O)CCC
InChIInChI=1S/C5H10O3S/c1-3-5-9(6,7)8-4-2/h4H,2-3,5H2,1H3
InChIKeyUJAVPINHFFAGOC-UHFFFAOYSA-N
XLogP0.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl propane-1-sulfonate?
The IUPAC name of ethenyl propane-1-sulfonate (CID 87395324) is ethenyl propane-1-sulfonate.
What is the SMILES notation for ethenyl propane-1-sulfonate?
The canonical SMILES for ethenyl propane-1-sulfonate is C=COS(=O)(=O)CCC.
What is the InChIKey of ethenyl propane-1-sulfonate?
The InChIKey is UJAVPINHFFAGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3S/c1-3-5-9(6,7)8-4-2/h4H,2-3,5H2,1H3.
What are the key properties of ethenyl propane-1-sulfonate?
ethenyl propane-1-sulfonate has a molecular weight of 150.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl propane-1-sulfonate is sourced from PubChem (CID 87395324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).