sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane

C12H25NaO2S2 — CID 24940403

IUPACsodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCCCCCCCCCS(=O)([O-])=S.[Na+]
InChIInChI=1S/C12H26O2S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyNUKIHXQYWYCZLA-UHFFFAOYSA-M
MW288.45 g/mol
LogP0.79
Rot. Bonds11

About sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane

sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 24940403) has the molecular formula C12H25NaO2S2 and a molecular weight of 288.45 g/mol. Its IUPAC name is sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namesodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane
PubChem CID24940403
Molecular FormulaC12H25NaO2S2
Molecular Weight288.45 g/mol
Exact Mass288.12
IUPAC Namesodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCCCCCCCCCCCCS(=O)([O-])=S.[Na+]
InChIInChI=1S/C12H26O2S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
InChIKeyNUKIHXQYWYCZLA-UHFFFAOYSA-M
XLogP0.79
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.45
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium dodecane-1-sulfonate
CID 23665726
disodium;bis(tetradecane);sulfate
CID 173098136
sodium;dodecane;sulfate
CID 23355954
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
silver pentadecane-1-sulfonate
CID 102573896
cesium hexane-1-sulfonate
CID 141317548
silver decane-1-sulfonate
CID 18615614
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
sodium;pentane-1-sulfonate;hydrate
CID 23693099

Frequently Asked Questions

What is the IUPAC name of sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane (CID 24940403) is sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane is CCCCCCCCCCCCS(=O)([O-])=S.[Na+].
What is the InChIKey of sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is NUKIHXQYWYCZLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H26O2S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane?
sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 288.45 g/mol, XLogP of 0.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dodecyl-oxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 24940403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).