cyclopropanesulfinic acid

C3H6O2S — CID 14563239

IUPACcyclopropanesulfinic acid
SMILESO=S(O)C1CC1
InChIInChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)
InChIKeySJNAEBWOVPMUKS-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.37
Rot. Bonds1

About cyclopropanesulfinic acid

cyclopropanesulfinic acid (PubChem CID 14563239) has the molecular formula C3H6O2S and a molecular weight of 106.15 g/mol. Its IUPAC name is cyclopropanesulfinic acid.

Molecular Properties

Compound Namecyclopropanesulfinic acid
PubChem CID14563239
Molecular FormulaC3H6O2S
Molecular Weight106.15 g/mol
Exact Mass106.01
IUPAC Namecyclopropanesulfinic acid
SMILESO=S(O)C1CC1
InChIInChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5)
InChIKeySJNAEBWOVPMUKS-UHFFFAOYSA-N
XLogP0.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclopropanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfinic acid?
The IUPAC name of cyclopropanesulfinic acid (CID 14563239) is cyclopropanesulfinic acid.
What is the SMILES notation for cyclopropanesulfinic acid?
The canonical SMILES for cyclopropanesulfinic acid is O=S(O)C1CC1.
What is the InChIKey of cyclopropanesulfinic acid?
The InChIKey is SJNAEBWOVPMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S/c4-6(5)3-1-2-3/h3H,1-2H2,(H,4,5).
What are the key properties of cyclopropanesulfinic acid?
cyclopropanesulfinic acid has a molecular weight of 106.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanesulfinic acid is sourced from PubChem (CID 14563239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).