oxirane-2-sulfinate

C2H3O3S- — CID 57440964

IUPACoxirane-2-sulfinate
SMILESO=S([O-])C1CO1
InChIInChI=1S/C2H4O3S/c3-6(4)2-1-5-2/h2H,1H2,(H,3,4)/p-1
InChIKeyMAMKLDLHEYLEOS-UHFFFAOYSA-M
MW107.11 g/mol
LogP-0.78
Rot. Bonds1

About oxirane-2-sulfinate

oxirane-2-sulfinate (PubChem CID 57440964) has the molecular formula C2H3O3S- and a molecular weight of 107.11 g/mol. Its IUPAC name is oxirane-2-sulfinate.

Molecular Properties

Compound Nameoxirane-2-sulfinate
PubChem CID57440964
Molecular FormulaC2H3O3S-
Molecular Weight107.11 g/mol
Exact Mass106.98
IUPAC Nameoxirane-2-sulfinate
SMILESO=S([O-])C1CO1
InChIInChI=1S/C2H4O3S/c3-6(4)2-1-5-2/h2H,1H2,(H,3,4)/p-1
InChIKeyMAMKLDLHEYLEOS-UHFFFAOYSA-M
XLogP-0.78
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxirane-2-sulfinate?
The IUPAC name of oxirane-2-sulfinate (CID 57440964) is oxirane-2-sulfinate.
What is the SMILES notation for oxirane-2-sulfinate?
The canonical SMILES for oxirane-2-sulfinate is O=S([O-])C1CO1.
What is the InChIKey of oxirane-2-sulfinate?
The InChIKey is MAMKLDLHEYLEOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O3S/c3-6(4)2-1-5-2/h2H,1H2,(H,3,4)/p-1.
What are the key properties of oxirane-2-sulfinate?
oxirane-2-sulfinate has a molecular weight of 107.11 g/mol, XLogP of -0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane-2-sulfinate is sourced from PubChem (CID 57440964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).