sodium nonane-1-sulfinate

C9H19NaO2S — CID 86740195

IUPACsodium nonane-1-sulfinate
SMILESCCCCCCCCCS(=O)[O-].[Na+]
InChIInChI=1S/C9H20O2S.Na/c1-2-3-4-5-6-7-8-9-12(10)11;/h2-9H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyVAWDJQBZYWDKLP-UHFFFAOYSA-M
MW214.31 g/mol
LogP-0.38
Rot. Bonds8

About sodium nonane-1-sulfinate

sodium nonane-1-sulfinate (PubChem CID 86740195) has the molecular formula C9H19NaO2S and a molecular weight of 214.31 g/mol. Its IUPAC name is sodium nonane-1-sulfinate.

Molecular Properties

Compound Namesodium nonane-1-sulfinate
PubChem CID86740195
Molecular FormulaC9H19NaO2S
Molecular Weight214.31 g/mol
Exact Mass214.10
IUPAC Namesodium nonane-1-sulfinate
SMILESCCCCCCCCCS(=O)[O-].[Na+]
InChIInChI=1S/C9H20O2S.Na/c1-2-3-4-5-6-7-8-9-12(10)11;/h2-9H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyVAWDJQBZYWDKLP-UHFFFAOYSA-M
XLogP-0.38
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium octadecane-1-sulfinate
CID 23714371
silver dodecane-1-sulfinate
CID 86740193
3-dodecoxypropane-1-sulfinate
CID 57250750
lithium;octane;sulfite
CID 122668940
1-ethylsulfinylhexane
CID 18965294
1-ethylsulfinyloctane
CID 54141160
1-heptadecylsulfinylheptadecane
CID 54059826
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
bis(dodecane-1-sulfinate);dodecane-1-sulfonic acid;oxotitanium(2+);propan-2-ol
CID 87081362
sodium;hexane-1-sulfinic acid;hydride
CID 173414906
pentadecane-1-sulfinic acid
CID 20739365

Frequently Asked Questions

What is the IUPAC name of sodium nonane-1-sulfinate?
The IUPAC name of sodium nonane-1-sulfinate (CID 86740195) is sodium nonane-1-sulfinate.
What is the SMILES notation for sodium nonane-1-sulfinate?
The canonical SMILES for sodium nonane-1-sulfinate is CCCCCCCCCS(=O)[O-].[Na+].
What is the InChIKey of sodium nonane-1-sulfinate?
The InChIKey is VAWDJQBZYWDKLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20O2S.Na/c1-2-3-4-5-6-7-8-9-12(10)11;/h2-9H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium nonane-1-sulfinate?
sodium nonane-1-sulfinate has a molecular weight of 214.31 g/mol, XLogP of -0.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium nonane-1-sulfinate is sourced from PubChem (CID 86740195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).