cyclobutanesulfinate

C4H7O2S- — CID 57421188

IUPACcyclobutanesulfinate
SMILESO=S([O-])C1CCC1
InChIInChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)/p-1
InChIKeyWINLKCZFDQUZHI-UHFFFAOYSA-M
MW119.16 g/mol
LogP0.42
Rot. Bonds1

About cyclobutanesulfinate

cyclobutanesulfinate (PubChem CID 57421188) has the molecular formula C4H7O2S- and a molecular weight of 119.16 g/mol. Its IUPAC name is cyclobutanesulfinate.

Molecular Properties

Compound Namecyclobutanesulfinate
PubChem CID57421188
Molecular FormulaC4H7O2S-
Molecular Weight119.16 g/mol
Exact Mass119.02
IUPAC Namecyclobutanesulfinate
SMILESO=S([O-])C1CCC1
InChIInChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)/p-1
InChIKeyWINLKCZFDQUZHI-UHFFFAOYSA-M
XLogP0.42
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutanesulfinate?
The IUPAC name of cyclobutanesulfinate (CID 57421188) is cyclobutanesulfinate.
What is the SMILES notation for cyclobutanesulfinate?
The canonical SMILES for cyclobutanesulfinate is O=S([O-])C1CCC1.
What is the InChIKey of cyclobutanesulfinate?
The InChIKey is WINLKCZFDQUZHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2S/c5-7(6)4-2-1-3-4/h4H,1-3H2,(H,5,6)/p-1.
What are the key properties of cyclobutanesulfinate?
cyclobutanesulfinate has a molecular weight of 119.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanesulfinate is sourced from PubChem (CID 57421188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).