sodium ethanesulfinate

C2H5NaO2S — CID 22986214

IUPACsodium ethanesulfinate
SMILESCCS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyUWIVVFQECQYHOB-UHFFFAOYSA-M
MW116.12 g/mol
LogP-3.11
Rot. Bonds1

About sodium ethanesulfinate

sodium ethanesulfinate (PubChem CID 22986214) has the molecular formula C2H5NaO2S and a molecular weight of 116.12 g/mol. Its IUPAC name is sodium ethanesulfinate.

Molecular Properties

Compound Namesodium ethanesulfinate
PubChem CID22986214
Molecular FormulaC2H5NaO2S
Molecular Weight116.12 g/mol
Exact Mass115.99
IUPAC Namesodium ethanesulfinate
SMILESCCS(=O)[O-].[Na+]
InChIInChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1
InChIKeyUWIVVFQECQYHOB-UHFFFAOYSA-M
XLogP-3.11
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-3.11
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

Ethanesulfonyl chloride
CID 11667
Ethanesulfonate
CID 3717105
Sodium ethanesulphonate
CID 4192170
Ethanesulfinic acid
CID 435496
Sodium propanesulphonate
CID 4319363
Sodium butane-1-sulfinate
CID 23563922
Sodium (ethanesulfonyl)sulfanide
CID 23677318
Ethanesulfonic acid sodium salt monohydrate
CID 23680479
(2-Sulfonatoethyl)methanethiosulfonate
CID 23688468
2-Propanesulfonic acid, sodium salt (1:1)
CID 4992759
Sodium (2-sulfonatoethyl)methanethiosulfonate
CID 3509088
Sodium propane-2-sulfinate
CID 23685748

Frequently Asked Questions

What is the IUPAC name of sodium ethanesulfinate?
The IUPAC name of sodium ethanesulfinate (CID 22986214) is sodium ethanesulfinate.
What is the SMILES notation for sodium ethanesulfinate?
The canonical SMILES for sodium ethanesulfinate is CCS(=O)[O-].[Na+].
What is the InChIKey of sodium ethanesulfinate?
The InChIKey is UWIVVFQECQYHOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium ethanesulfinate?
sodium ethanesulfinate has a molecular weight of 116.12 g/mol, XLogP of -3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium ethanesulfinate is sourced from PubChem (CID 22986214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).