cyclopropanesulfinate

C3H5O2S- — CID 20739353

IUPACcyclopropanesulfinate
SMILESO=S([O-])C1CC1
InChIInChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)/p-1
InChIKeySJNAEBWOVPMUKS-UHFFFAOYSA-M
MW105.14 g/mol
LogP0.03
Rot. Bonds1

About cyclopropanesulfinate

cyclopropanesulfinate (PubChem CID 20739353) has the molecular formula C3H5O2S- and a molecular weight of 105.14 g/mol. Its IUPAC name is cyclopropanesulfinate.

Molecular Properties

Compound Namecyclopropanesulfinate
PubChem CID20739353
Molecular FormulaC3H5O2S-
Molecular Weight105.14 g/mol
Exact Mass105.00
IUPAC Namecyclopropanesulfinate
SMILESO=S([O-])C1CC1
InChIInChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)/p-1
InChIKeySJNAEBWOVPMUKS-UHFFFAOYSA-M
XLogP0.03
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 50.03
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 cyclopropanesulfinate?
The IUPAC name of cyclopropanesulfinate (CID 20739353) is cyclopropanesulfinate.
What is the SMILES notation for cyclopropanesulfinate?
The canonical SMILES for cyclopropanesulfinate is O=S([O-])C1CC1.
What is the InChIKey of cyclopropanesulfinate?
The InChIKey is SJNAEBWOVPMUKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)/p-1.
What are the key properties of cyclopropanesulfinate?
cyclopropanesulfinate has a molecular weight of 105.14 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfinate is sourced from PubChem (CID 20739353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).