prop-2-enyl prop-1-ene-1-sulfinate

C6H10O2S — CID 91102362

IUPACprop-2-enyl prop-1-ene-1-sulfinate
SMILESC=CCOS(=O)C=CC
InChIInChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3
InChIKeyPRPUEVZAKCGHKP-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.39
Rot. Bonds4

About prop-2-enyl prop-1-ene-1-sulfinate

prop-2-enyl prop-1-ene-1-sulfinate (PubChem CID 91102362) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is prop-2-enyl prop-1-ene-1-sulfinate.

Molecular Properties

Compound Nameprop-2-enyl prop-1-ene-1-sulfinate
PubChem CID91102362
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Nameprop-2-enyl prop-1-ene-1-sulfinate
SMILESC=CCOS(=O)C=CC
InChIInChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3
InChIKeyPRPUEVZAKCGHKP-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl prop-1-ene-1-sulfinate?
The IUPAC name of prop-2-enyl prop-1-ene-1-sulfinate (CID 91102362) is prop-2-enyl prop-1-ene-1-sulfinate.
What is the SMILES notation for prop-2-enyl prop-1-ene-1-sulfinate?
The canonical SMILES for prop-2-enyl prop-1-ene-1-sulfinate is C=CCOS(=O)C=CC.
What is the InChIKey of prop-2-enyl prop-1-ene-1-sulfinate?
The InChIKey is PRPUEVZAKCGHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4,6H,1,5H2,2H3.
What are the key properties of prop-2-enyl prop-1-ene-1-sulfinate?
prop-2-enyl prop-1-ene-1-sulfinate has a molecular weight of 146.21 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl prop-1-ene-1-sulfinate is sourced from PubChem (CID 91102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).