ethenyl hydrogen sulfite;prop-1-ene

C5H10O3S — CID 89147572

IUPACethenyl hydrogen sulfite;prop-1-ene
SMILESC=CC.C=COS(=O)O
InChIInChI=1S/C3H6.C2H4O3S/c1-3-2;1-2-5-6(3)4/h3H,1H2,2H3;2H,1H2,(H,3,4)
InChIKeyHDSROHYNCRDSNE-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.48
Rot. Bonds2

About ethenyl hydrogen sulfite;prop-1-ene

ethenyl hydrogen sulfite;prop-1-ene (PubChem CID 89147572) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is ethenyl hydrogen sulfite;prop-1-ene.

Molecular Properties

Compound Nameethenyl hydrogen sulfite;prop-1-ene
PubChem CID89147572
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Nameethenyl hydrogen sulfite;prop-1-ene
SMILESC=CC.C=COS(=O)O
InChIInChI=1S/C3H6.C2H4O3S/c1-3-2;1-2-5-6(3)4/h3H,1H2,2H3;2H,1H2,(H,3,4)
InChIKeyHDSROHYNCRDSNE-UHFFFAOYSA-N
XLogP1.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl hydrogen sulfite;prop-1-ene?
The IUPAC name of ethenyl hydrogen sulfite;prop-1-ene (CID 89147572) is ethenyl hydrogen sulfite;prop-1-ene.
What is the SMILES notation for ethenyl hydrogen sulfite;prop-1-ene?
The canonical SMILES for ethenyl hydrogen sulfite;prop-1-ene is C=CC.C=COS(=O)O.
What is the InChIKey of ethenyl hydrogen sulfite;prop-1-ene?
The InChIKey is HDSROHYNCRDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.C2H4O3S/c1-3-2;1-2-5-6(3)4/h3H,1H2,2H3;2H,1H2,(H,3,4).
What are the key properties of ethenyl hydrogen sulfite;prop-1-ene?
ethenyl hydrogen sulfite;prop-1-ene has a molecular weight of 150.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl hydrogen sulfite;prop-1-ene is sourced from PubChem (CID 89147572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).