Cyclopropanesulfinic acid sodium

C3H6NaO2S — CID 66664624

IUPAC—
SMILESO=S(O)C1CC1.[Na]
InChIInChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);
InChIKeyNUBVYMVIDBFFMP-UHFFFAOYSA-N
MW129.14 g/mol
LogP-0.01
Rot. Bonds1

About Cyclopropanesulfinic acid sodium

Cyclopropanesulfinic acid sodium (PubChem CID 66664624) has the molecular formula C3H6NaO2S and a molecular weight of 129.14 g/mol.

Molecular Properties

Compound NameCyclopropanesulfinic acid sodium
PubChem CID66664624
Molecular FormulaC3H6NaO2S
Molecular Weight129.14 g/mol
Exact Mass129.00
IUPAC Name—
SMILESO=S(O)C1CC1.[Na]
InChIInChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);
InChIKeyNUBVYMVIDBFFMP-UHFFFAOYSA-N
XLogP-0.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 Cyclopropanesulfinic acid sodium?
The IUPAC name of Cyclopropanesulfinic acid sodium (CID 66664624) is not available.
What is the SMILES notation for Cyclopropanesulfinic acid sodium?
The canonical SMILES for Cyclopropanesulfinic acid sodium is O=S(O)C1CC1.[Na].
What is the InChIKey of Cyclopropanesulfinic acid sodium?
The InChIKey is NUBVYMVIDBFFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);.
What are the key properties of Cyclopropanesulfinic acid sodium?
Cyclopropanesulfinic acid sodium has a molecular weight of 129.14 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopropanesulfinic acid sodium is sourced from PubChem (CID 66664624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).