silver dodecane-1-sulfinate

C12H25AgO2S — CID 86740193

IUPACsilver dodecane-1-sulfinate
SMILESCCCCCCCCCCCCS(=O)[O-].[Ag+]
InChIInChI=1S/C12H26O2S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-15(13)14;/h2-12H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyHGFBSQYAAUYYFQ-UHFFFAOYSA-M
MW341.27 g/mol
LogP3.78
Rot. Bonds11

About silver dodecane-1-sulfinate

silver dodecane-1-sulfinate (PubChem CID 86740193) has the molecular formula C12H25AgO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is silver dodecane-1-sulfinate.

Molecular Properties

Compound Namesilver dodecane-1-sulfinate
PubChem CID86740193
Molecular FormulaC12H25AgO2S
Molecular Weight341.27 g/mol
Exact Mass340.06
IUPAC Namesilver dodecane-1-sulfinate
SMILESCCCCCCCCCCCCS(=O)[O-].[Ag+]
InChIInChI=1S/C12H26O2S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-15(13)14;/h2-12H2,1H3,(H,13,14);/q;+1/p-1
InChIKeyHGFBSQYAAUYYFQ-UHFFFAOYSA-M
XLogP3.78
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.78
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
sodium nonane-1-sulfinate
CID 86740195
3-dodecoxypropane-1-sulfinate
CID 57250750
lithium;octane;sulfite
CID 122668940
bis(dodecane-1-sulfinate);dodecane-1-sulfonic acid;oxotitanium(2+);propan-2-ol
CID 87081362
1-heptadecylsulfinylheptadecane
CID 54059826
1-methylsulfinylicosane
CID 53482744
1-methylsulfinylpentadecane
CID 15553502
1-ethylsulfinyloctane
CID 54141160
hexyl-oxido-sulfanylidene-λ4-sulfane
CID 89333712
1-ethylsulfinylhexane
CID 18965294
pentadecane-1-sulfinic acid
CID 20739365

Frequently Asked Questions

What is the IUPAC name of silver dodecane-1-sulfinate?
The IUPAC name of silver dodecane-1-sulfinate (CID 86740193) is silver dodecane-1-sulfinate.
What is the SMILES notation for silver dodecane-1-sulfinate?
The canonical SMILES for silver dodecane-1-sulfinate is CCCCCCCCCCCCS(=O)[O-].[Ag+].
What is the InChIKey of silver dodecane-1-sulfinate?
The InChIKey is HGFBSQYAAUYYFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O2S.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-15(13)14;/h2-12H2,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of silver dodecane-1-sulfinate?
silver dodecane-1-sulfinate has a molecular weight of 341.27 g/mol, XLogP of 3.78, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silver dodecane-1-sulfinate is sourced from PubChem (CID 86740193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).