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

C6H10O2S — CID 57291063

IUPACprop-2-enyl prop-2-ene-1-sulfinate
SMILESC=CCOS(=O)CC=C
InChIInChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKeyNXNSSVXQEWDXSS-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.04
Rot. Bonds5

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

prop-2-enyl prop-2-ene-1-sulfinate (PubChem CID 57291063) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is prop-2-enyl prop-2-ene-1-sulfinate.

Molecular Properties

Compound Nameprop-2-enyl prop-2-ene-1-sulfinate
PubChem CID57291063
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Nameprop-2-enyl prop-2-ene-1-sulfinate
SMILESC=CCOS(=O)CC=C
InChIInChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
InChIKeyNXNSSVXQEWDXSS-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.04
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-2-ene-1-sulfinate?
The IUPAC name of prop-2-enyl prop-2-ene-1-sulfinate (CID 57291063) is prop-2-enyl prop-2-ene-1-sulfinate.
What is the SMILES notation for prop-2-enyl prop-2-ene-1-sulfinate?
The canonical SMILES for prop-2-enyl prop-2-ene-1-sulfinate is C=CCOS(=O)CC=C.
What is the InChIKey of prop-2-enyl prop-2-ene-1-sulfinate?
The InChIKey is NXNSSVXQEWDXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of prop-2-enyl prop-2-ene-1-sulfinate?
prop-2-enyl prop-2-ene-1-sulfinate has a molecular weight of 146.21 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl prop-2-ene-1-sulfinate is sourced from PubChem (CID 57291063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).