prop-1-enyl hydrogen sulfite

C3H6O3S — CID 57320811

IUPACprop-1-enyl hydrogen sulfite
SMILESCC=COS(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-6-7(4)5/h2-3H,1H3,(H,4,5)
InChIKeyUVFQGNOZULDQMA-UHFFFAOYSA-N
MW122.14 g/mol
LogP0.67
Rot. Bonds2

About prop-1-enyl hydrogen sulfite

prop-1-enyl hydrogen sulfite (PubChem CID 57320811) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is prop-1-enyl hydrogen sulfite.

Molecular Properties

Compound Nameprop-1-enyl hydrogen sulfite
PubChem CID57320811
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Nameprop-1-enyl hydrogen sulfite
SMILESCC=COS(=O)O
InChIInChI=1S/C3H6O3S/c1-2-3-6-7(4)5/h2-3H,1H3,(H,4,5)
InChIKeyUVFQGNOZULDQMA-UHFFFAOYSA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-enyl hydrogen sulfite?
The IUPAC name of prop-1-enyl hydrogen sulfite (CID 57320811) is prop-1-enyl hydrogen sulfite.
What is the SMILES notation for prop-1-enyl hydrogen sulfite?
The canonical SMILES for prop-1-enyl hydrogen sulfite is CC=COS(=O)O.
What is the InChIKey of prop-1-enyl hydrogen sulfite?
The InChIKey is UVFQGNOZULDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c1-2-3-6-7(4)5/h2-3H,1H3,(H,4,5).
What are the key properties of prop-1-enyl hydrogen sulfite?
prop-1-enyl hydrogen sulfite has a molecular weight of 122.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-enyl hydrogen sulfite is sourced from PubChem (CID 57320811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).