sodium cyclopropanesulfinate

C3H5NaO2S — CID 42643363

IUPACsodium cyclopropanesulfinate
SMILESO=S([O-])C1CC1.[Na+]
InChIInChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyCQSFZPDGBPHCHV-UHFFFAOYSA-M
MW128.13 g/mol
LogP-2.97
Rot. Bonds1

About sodium cyclopropanesulfinate

sodium cyclopropanesulfinate (PubChem CID 42643363) has the molecular formula C3H5NaO2S and a molecular weight of 128.13 g/mol. Its IUPAC name is sodium cyclopropanesulfinate.

Molecular Properties

Compound Namesodium cyclopropanesulfinate
PubChem CID42643363
Molecular FormulaC3H5NaO2S
Molecular Weight128.13 g/mol
Exact Mass127.99
IUPAC Namesodium cyclopropanesulfinate
SMILESO=S([O-])C1CC1.[Na+]
InChIInChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1
InChIKeyCQSFZPDGBPHCHV-UHFFFAOYSA-M
XLogP-2.97
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-2.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopropanesulfonyl chloride
CID 2760919
Sodium propane-2-sulfinate
CID 23685748
Cyclopropanesulfonyl bromide
CID 22935856
Sodium propane-1-sulfinate
CID 23706191
Potassium cyclopropanesulfonate
CID 57372116
Sodium cyclopropanesulfonate
CID 57665337
Cyclopropanesulfinic acid
CID 14563239
2-Fluorocyclopropane-1-sulfinate
CID 118236422
trans-(1R,2R)-2-fluorocyclopropane-1-sulfinate
CID 141658745
Sodium propane-2-sulfinate-d7
CID 166636917
Cyclopropanesulfonate
CID 19088405
CID 20739353
CID 20739353

Frequently Asked Questions

What is the IUPAC name of sodium cyclopropanesulfinate?
The IUPAC name of sodium cyclopropanesulfinate (CID 42643363) is sodium cyclopropanesulfinate.
What is the SMILES notation for sodium cyclopropanesulfinate?
The canonical SMILES for sodium cyclopropanesulfinate is O=S([O-])C1CC1.[Na+].
What is the InChIKey of sodium cyclopropanesulfinate?
The InChIKey is CQSFZPDGBPHCHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2S.Na/c4-6(5)3-1-2-3;/h3H,1-2H2,(H,4,5);/q;+1/p-1.
What are the key properties of sodium cyclopropanesulfinate?
sodium cyclopropanesulfinate has a molecular weight of 128.13 g/mol, XLogP of -2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyclopropanesulfinate is sourced from PubChem (CID 42643363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).