cyclopent-2-ene-1-sulfinate

C5H7O2S- — CID 118658466

IUPACcyclopent-2-ene-1-sulfinate
SMILESO=S([O-])C1C=CCC1
InChIInChI=1S/C5H8O2S/c6-8(7)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,6,7)/p-1
InChIKeyMDQNVQMKFXJXCX-UHFFFAOYSA-M
MW131.18 g/mol
LogP0.58
Rot. Bonds1

About cyclopent-2-ene-1-sulfinate

cyclopent-2-ene-1-sulfinate (PubChem CID 118658466) has the molecular formula C5H7O2S- and a molecular weight of 131.18 g/mol. Its IUPAC name is cyclopent-2-ene-1-sulfinate.

Molecular Properties

Compound Namecyclopent-2-ene-1-sulfinate
PubChem CID118658466
Molecular FormulaC5H7O2S-
Molecular Weight131.18 g/mol
Exact Mass131.02
IUPAC Namecyclopent-2-ene-1-sulfinate
SMILESO=S([O-])C1C=CCC1
InChIInChI=1S/C5H8O2S/c6-8(7)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,6,7)/p-1
InChIKeyMDQNVQMKFXJXCX-UHFFFAOYSA-M
XLogP0.58
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 cyclopent-2-ene-1-sulfinate?
The IUPAC name of cyclopent-2-ene-1-sulfinate (CID 118658466) is cyclopent-2-ene-1-sulfinate.
What is the SMILES notation for cyclopent-2-ene-1-sulfinate?
The canonical SMILES for cyclopent-2-ene-1-sulfinate is O=S([O-])C1C=CCC1.
What is the InChIKey of cyclopent-2-ene-1-sulfinate?
The InChIKey is MDQNVQMKFXJXCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8O2S/c6-8(7)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,6,7)/p-1.
What are the key properties of cyclopent-2-ene-1-sulfinate?
cyclopent-2-ene-1-sulfinate has a molecular weight of 131.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-ene-1-sulfinate is sourced from PubChem (CID 118658466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).